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AFLOW
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AFLOW
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Go to the source code of this file.
Namespaces | |
| namespace | aflowrc |
Macros | |
| #define | AFLOWRC_FILENAME_LOCAL XHOST.home+"/.aflow.rc" |
| #define | AFLOWRC_FILENAME_GLOBAL "/etc/aflow.conf" |
| #define | AFLOWRC_AFLOWRC std::string(AFLOW_VERSION) |
| #define | AFLOWRC_DEFAULT_KZIP_BIN std::string("xz") |
| #define | DEFAULT_KZIP_BIN XHOST.adefault.getattachedscheme("DEFAULT_KZIP_BIN") |
| #define | AFLOWRC_DEFAULT_KZIP_EXT std::string(".xz") |
| #define | DEFAULT_KZIP_EXT XHOST.adefault.getattachedscheme("DEFAULT_KZIP_EXT") |
| #define | AFLOWRC_DEFAULT_TMPFS_DIRECTORIES std::string("/tmp/,/run/shm/,/dev/shm/") |
| #define | DEFAULT_TMPFS_DIRECTORIES XHOST.adefault.getattachedscheme("DEFAULT_TMPFS_DIRECTORIES") |
| #define | AFLOWRC_DEFAULT_ENTRY_LOADER_ALLOY_DB_FILE std::string("~/.aflow/aflowlib_alloy.db") |
| #define | DEFAULT_ENTRY_LOADER_ALLOY_DB_FILE XHOST.adefault.getattachedscheme("DEFAULT_ENTRY_LOADER_ALLOY_DB_FILE") |
| #define | AFLOWRC_DEFAULT_ENTRY_LOADER_AFLUX_SERVER std::string("aflowlib.duke.edu") |
| #define | DEFAULT_ENTRY_LOADER_AFLUX_SERVER XHOST.adefault.getattachedscheme("DEFAULT_ENTRY_LOADER_AFLUX_SERVER") |
| #define | AFLOWRC_DEFAULT_ENTRY_LOADER_AFLUX_PATH std::string("/API/aflux/") |
| #define | DEFAULT_ENTRY_LOADER_AFLUX_PATH XHOST.adefault.getattachedscheme("DEFAULT_ENTRY_LOADER_AFLUX_PATH") |
| #define | AFLOWRC_DEFAULT_ENTRY_LOADER_RESTAPI_SERVER std::string("aflowlib.duke.edu") |
| #define | DEFAULT_ENTRY_LOADER_RESTAPI_SERVER XHOST.adefault.getattachedscheme("DEFAULT_ENTRY_LOADER_RESTAPI_SERVER") |
| #define | AFLOWRC_DEFAULT_ENTRY_LOADER_RESTAPI_PATH std::string("/AFLOWDATA/") |
| #define | DEFAULT_ENTRY_LOADER_RESTAPI_PATH XHOST.adefault.getattachedscheme("DEFAULT_ENTRY_LOADER_RESTAPI_PATH") |
| #define | AFLOWRC_DEFAULT_ENTRY_LOADER_FS_PATH std::string("/common/") |
| #define | DEFAULT_ENTRY_LOADER_FS_PATH XHOST.adefault.getattachedscheme("DEFAULT_ENTRY_LOADER_FS_PATH") |
| #define | AFLOWRC_DEFAULT_AFLOW_DB_FILE std::string("/var/cache/aflow_data/AFLOWDB/aflowlib.db") |
| #define | DEFAULT_AFLOW_DB_FILE XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_DB_FILE") |
| #define | AFLOWRC_DEFAULT_AFLOW_DB_STATS_FILE std::string("/var/cache/aflow_data/AFLOWDB/aflowlib.json") |
| #define | DEFAULT_AFLOW_DB_STATS_FILE XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_DB_STATS_FILE") |
| #define | AFLOWRC_DEFAULT_AFLOW_DB_DATA_PATH std::string("/common/AFLOW/LIBS/") |
| #define | DEFAULT_AFLOW_DB_DATA_PATH XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_DB_DATA_PATH") |
| #define | AFLOWRC_DEFAULT_AFLOW_DB_LOCK_FILE std::string("/var/cache/aflow_data/AFLOWDB/ADB_Idle.lock") |
| #define | DEFAULT_AFLOW_DB_LOCK_FILE XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_DB_LOCK_FILE") |
| #define | AFLOWRC_DEFAULT_AFLOW_DB_STALE_THRESHOLD 3*3600 |
| #define | DEFAULT_AFLOW_DB_STALE_THRESHOLD XHOST.adefault.getattachedutype<long int>("DEFAULT_AFLOW_DB_STALE_THRESHOLD") |
| #define | AFLOWRC_DEFAULT_FILE_AFLOWLIB_ENTRY_OUT std::string("aflowlib.out") |
| #define | DEFAULT_FILE_AFLOWLIB_ENTRY_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_AFLOWLIB_ENTRY_OUT") |
| #define | AFLOWRC_DEFAULT_FILE_AFLOWLIB_ENTRY_JSON std::string("aflowlib.json") |
| #define | DEFAULT_FILE_AFLOWLIB_ENTRY_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_AFLOWLIB_ENTRY_JSON") |
| #define | AFLOWRC_DEFAULT_FILE_EDATA_ORIG_OUT std::string("edata.orig.out") |
| #define | DEFAULT_FILE_EDATA_ORIG_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_EDATA_ORIG_OUT") |
| #define | AFLOWRC_DEFAULT_FILE_EDATA_RELAX_OUT std::string("edata.relax.out") |
| #define | DEFAULT_FILE_EDATA_RELAX_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_EDATA_RELAX_OUT") |
| #define | AFLOWRC_DEFAULT_FILE_EDATA_BANDS_OUT std::string("edata.bands.out") |
| #define | DEFAULT_FILE_EDATA_BANDS_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_EDATA_BANDS_OUT") |
| #define | AFLOWRC_DEFAULT_FILE_DATA_ORIG_OUT std::string("data.orig.out") |
| #define | DEFAULT_FILE_DATA_ORIG_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_DATA_ORIG_OUT") |
| #define | AFLOWRC_DEFAULT_FILE_DATA_RELAX_OUT std::string("data.relax.out") |
| #define | DEFAULT_FILE_DATA_RELAX_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_DATA_RELAX_OUT") |
| #define | AFLOWRC_DEFAULT_FILE_DATA_BANDS_OUT std::string("data.bands.out") |
| #define | DEFAULT_FILE_DATA_BANDS_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_DATA_BANDS_OUT") |
| #define | AFLOWRC_DEFAULT_FILE_EDATA_ORIG_JSON std::string("edata.orig.json") |
| #define | DEFAULT_FILE_EDATA_ORIG_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_EDATA_ORIG_JSON") |
| #define | AFLOWRC_DEFAULT_FILE_EDATA_RELAX_JSON std::string("edata.relax.json") |
| #define | DEFAULT_FILE_EDATA_RELAX_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_EDATA_RELAX_JSON") |
| #define | AFLOWRC_DEFAULT_FILE_EDATA_BANDS_JSON std::string("edata.bands.json") |
| #define | DEFAULT_FILE_EDATA_BANDS_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_EDATA_BANDS_JSON") |
| #define | AFLOWRC_DEFAULT_FILE_DATA_ORIG_JSON std::string("data.orig.json") |
| #define | DEFAULT_FILE_DATA_ORIG_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_DATA_ORIG_JSON") |
| #define | AFLOWRC_DEFAULT_FILE_DATA_RELAX_JSON std::string("data.relax.json") |
| #define | DEFAULT_FILE_DATA_RELAX_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_DATA_RELAX_JSON") |
| #define | AFLOWRC_DEFAULT_FILE_DATA_BANDS_JSON std::string("data.bands.json") |
| #define | DEFAULT_FILE_DATA_BANDS_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_DATA_BANDS_JSON") |
| #define | AFLOWRC_DEFAULT_FILE_TIME_OUT std::string("time") |
| #define | DEFAULT_FILE_TIME_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_TIME_OUT") |
| #define | AFLOWRC_DEFAULT_FILE_SPACEGROUP1_OUT std::string("SpaceGroup") |
| #define | DEFAULT_FILE_SPACEGROUP1_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_SPACEGROUP1_OUT") |
| #define | AFLOWRC_DEFAULT_FILE_SPACEGROUP2_OUT std::string("SpaceGroup2") |
| #define | DEFAULT_FILE_SPACEGROUP2_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_SPACEGROUP2_OUT") |
| #define | AFLOWRC_DEFAULT_FILE_VOLDISTPARAMS_OUT std::string("VOLDISTParams") |
| #define | DEFAULT_FILE_VOLDISTPARAMS_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_VOLDISTPARAMS_OUT") |
| #define | AFLOWRC_DEFAULT_FILE_VOLDISTEVOLUTION_OUT std::string("VOLDISTEvolution") |
| #define | DEFAULT_FILE_VOLDISTEVOLUTION_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_VOLDISTEVOLUTION_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_PSEUDOPOTENTIAL_AUID_OUT std::string("aflow.pseudopotential_auid.out") |
| #define | DEFAULT_AFLOW_PSEUDOPOTENTIAL_AUID_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PSEUDOPOTENTIAL_AUID_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_PRESCRIPT_OUT std::string("aflow.prescript.out") |
| #define | DEFAULT_AFLOW_PRESCRIPT_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PRESCRIPT_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_PRESCRIPT_COMMAND std::string("aflow.prescript.command") |
| #define | DEFAULT_AFLOW_PRESCRIPT_COMMAND XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PRESCRIPT_COMMAND") |
| #define | AFLOWRC_DEFAULT_AFLOW_POSTSCRIPT_OUT std::string("aflow.postscript.out") |
| #define | DEFAULT_AFLOW_POSTSCRIPT_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_POSTSCRIPT_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_POSTSCRIPT_COMMAND std::string("aflow.postscript.command") |
| #define | DEFAULT_AFLOW_POSTSCRIPT_COMMAND XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_POSTSCRIPT_COMMAND") |
| #define | AFLOWRC_DEFAULT_AFLOW_PGROUP_OUT std::string("aflow.pgroup.out") |
| #define | DEFAULT_AFLOW_PGROUP_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUP_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_PGROUP_JSON std::string("aflow.pgroup.json") |
| #define | DEFAULT_AFLOW_PGROUP_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUP_JSON") |
| #define | AFLOWRC_DEFAULT_AFLOW_PGROUP_XTAL_OUT std::string("aflow.pgroup_xtal.out") |
| #define | DEFAULT_AFLOW_PGROUP_XTAL_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUP_XTAL_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_PGROUP_XTAL_JSON std::string("aflow.pgroup_xtal.json") |
| #define | DEFAULT_AFLOW_PGROUP_XTAL_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUP_XTAL_JSON") |
| #define | AFLOWRC_DEFAULT_AFLOW_PGROUPK_PATTERSON_OUT std::string("aflow.pgroupk_Patterson.out") |
| #define | DEFAULT_AFLOW_PGROUPK_PATTERSON_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUPK_PATTERSON_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_PGROUPK_PATTERSON_JSON std::string("aflow.pgroupk_Patterson.json") |
| #define | DEFAULT_AFLOW_PGROUPK_PATTERSON_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUPK_PATTERSON_JSON") |
| #define | AFLOWRC_DEFAULT_AFLOW_PGROUPK_OUT std::string("aflow.pgroupk.out") |
| #define | DEFAULT_AFLOW_PGROUPK_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUPK_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_PGROUPK_JSON std::string("aflow.pgroupk.json") |
| #define | DEFAULT_AFLOW_PGROUPK_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUPK_JSON") |
| #define | AFLOWRC_DEFAULT_AFLOW_PGROUPK_XTAL_OUT std::string("aflow.pgroupk_xtal.out") |
| #define | DEFAULT_AFLOW_PGROUPK_XTAL_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUPK_XTAL_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_PGROUPK_XTAL_JSON std::string("aflow.pgroupk_xtal.json") |
| #define | DEFAULT_AFLOW_PGROUPK_XTAL_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUPK_XTAL_JSON") |
| #define | AFLOWRC_DEFAULT_AFLOW_FGROUP_OUT std::string("aflow.fgroup.out") |
| #define | DEFAULT_AFLOW_FGROUP_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_FGROUP_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_FGROUP_JSON std::string("aflow.fgroup.json") |
| #define | DEFAULT_AFLOW_FGROUP_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_FGROUP_JSON") |
| #define | AFLOWRC_DEFAULT_AFLOW_SGROUP_OUT std::string("aflow.sgroup.out") |
| #define | DEFAULT_AFLOW_SGROUP_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_SGROUP_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_SGROUP_JSON std::string("aflow.sgroup.json") |
| #define | DEFAULT_AFLOW_SGROUP_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_SGROUP_JSON") |
| #define | AFLOWRC_DEFAULT_AFLOW_AGROUP_OUT std::string("aflow.agroup.out") |
| #define | DEFAULT_AFLOW_AGROUP_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_AGROUP_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_AGROUP_JSON std::string("aflow.agroup.json") |
| #define | DEFAULT_AFLOW_AGROUP_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_AGROUP_JSON") |
| #define | AFLOWRC_DEFAULT_AFLOW_IATOMS_OUT std::string("aflow.iatoms.out") |
| #define | DEFAULT_AFLOW_IATOMS_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_IATOMS_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_IATOMS_JSON std::string("aflow.iatoms.json") |
| #define | DEFAULT_AFLOW_IATOMS_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_IATOMS_JSON") |
| #define | AFLOWRC_DEFAULT_AFLOW_ICAGES_OUT std::string("aflow.icages.out") |
| #define | DEFAULT_AFLOW_ICAGES_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_ICAGES_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_SURFACE_OUT std::string("aflow.surface.out") |
| #define | DEFAULT_AFLOW_SURFACE_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_SURFACE_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_QMVASP_OUT std::string("aflow.qmvasp.out") |
| #define | DEFAULT_AFLOW_QMVASP_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_QMVASP_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_ERVASP_OUT std::string("aflow.error.out") |
| #define | DEFAULT_AFLOW_ERVASP_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_ERVASP_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_IMMISCIBILITY_OUT std::string("aflow.immiscibility.out") |
| #define | DEFAULT_AFLOW_IMMISCIBILITY_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_IMMISCIBILITY_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_MEMORY_OUT std::string("aflow.memory.out") |
| #define | DEFAULT_AFLOW_MEMORY_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_MEMORY_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_FROZSL_INPUT_OUT std::string("aflow.frozsl_input.out") |
| #define | DEFAULT_AFLOW_FROZSL_INPUT_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_FROZSL_INPUT_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_FROZSL_POSCAR_OUT std::string("aflow.frozsl_poscar.out") |
| #define | DEFAULT_AFLOW_FROZSL_POSCAR_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_FROZSL_POSCAR_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_FROZSL_MODES_OUT std::string("aflow.frozsl_energies.out") |
| #define | DEFAULT_AFLOW_FROZSL_MODES_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_FROZSL_MODES_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_FROZSL_EIGEN_OUT std::string("aflow.frozsl_eigen.out") |
| #define | DEFAULT_AFLOW_FROZSL_EIGEN_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_FROZSL_EIGEN_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_END_OUT std::string("aflow.end.out") |
| #define | DEFAULT_AFLOW_END_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_END_OUT") |
| #define | AFLOWRC_DEFAULT_AFLOW_PLASMONICS_FILE std::string("aflow.plasmonics_eps") |
| #define | DEFAULT_AFLOW_PLASMONICS_FILE XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PLASMONICS_FILE") |
| #define | AFLOWRC_MPI_START_DEFAULT std::string("") |
| #define | MPI_START_DEFAULT XHOST.adefault.getattachedscheme("MPI_START_DEFAULT") |
| #define | AFLOWRC_MPI_STOP_DEFAULT std::string("") |
| #define | MPI_STOP_DEFAULT XHOST.adefault.getattachedscheme("MPI_STOP_DEFAULT") |
| #define | AFLOWRC_MPI_COMMAND_DEFAULT std::string("mpirun -np") |
| #define | MPI_COMMAND_DEFAULT XHOST.adefault.getattachedscheme("MPI_COMMAND_DEFAULT") |
| #define | AFLOWRC_MPI_NCPUS_DEFAULT 4 |
| #define | MPI_NCPUS_DEFAULT XHOST.adefault.getattachedutype<int>("MPI_NCPUS_DEFAULT") |
| #define | AFLOWRC_MPI_NCPUS_MAX init::GetCPUCores() |
| #define | MPI_NCPUS_MAX XHOST.adefault.getattachedutype<int>("MPI_NCPUS_MAX") |
| #define | AFLOWRC_DEFAULT_VASP_GAMMA_BIN std::string("vasp_gam") |
| #define | DEFAULT_VASP_GAMMA_BIN XHOST.adefault.getattachedscheme("DEFAULT_VASP_GAMMA_BIN") |
| #define | AFLOWRC_DEFAULT_VASP_GAMMA_MPI_BIN std::string("vasp_gam") |
| #define | DEFAULT_VASP_GAMMA_MPI_BIN XHOST.adefault.getattachedscheme("DEFAULT_VASP_GAMMA_MPI_BIN") |
| #define | AFLOWRC_DEFAULT_VASP_BIN std::string("vasp_std") |
| #define | DEFAULT_VASP_BIN XHOST.adefault.getattachedscheme("DEFAULT_VASP_BIN") |
| #define | AFLOWRC_DEFAULT_VASP_MPI_BIN std::string("vasp_std") |
| #define | DEFAULT_VASP_MPI_BIN XHOST.adefault.getattachedscheme("DEFAULT_VASP_MPI_BIN") |
| #define | AFLOWRC_DEFAULT_VASP5_BIN std::string("vasp_std") |
| #define | DEFAULT_VASP5_BIN XHOST.adefault.getattachedscheme("DEFAULT_VASP5_BIN") |
| #define | AFLOWRC_DEFAULT_VASP5_MPI_BIN std::string("vasp_std") |
| #define | DEFAULT_VASP5_MPI_BIN XHOST.adefault.getattachedscheme("DEFAULT_VASP5_MPI_BIN") |
| #define | AFLOWRC_DEFAULT_AIMS_BIN std::string("aims") |
| #define | DEFAULT_AIMS_BIN XHOST.adefault.getattachedscheme("DEFAULT_AIMS_BIN") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_DIRECTORIES std::string("/common/VASP,/common/AFLOW/VASP,/home/aflow/common/AFLOW/VASP,/fslhome/fslcollab8/group/VASP,/fslhome/glh43/src/,/share/home/00470/tg457283/common/AFLOW/VASP/,/share/home/00457/tg457357/common/AFLOW/VASP/,/home/mehl/bin/AFLOW/VASP/,~/common/VASP/,~/common/AFLOW/VASP/,/home/aflow/common/VASP/,/nics/a/proj/aflow/common/AFLOW/VASP/,/home/users/aflow/common/VASP,/share/apps/AFLOW3/VASP,/share/apps/vasp/PP,/projects/kyang-group/common/VASP,/home/Tools/src/vasp/,/somewhere/") |
| #define | DEFAULT_VASP_POTCAR_DIRECTORIES XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIRECTORIES") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_DATE std::string("current") |
| #define | DEFAULT_VASP_POTCAR_DATE XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DATE") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_SUFFIX std::string("/POTCAR") |
| #define | DEFAULT_VASP_POTCAR_SUFFIX XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_SUFFIX") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_DATE_POT_LDA std::string("01Apr2000") |
| #define | DEFAULT_VASP_POTCAR_DATE_POT_LDA XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DATE_POT_LDA") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_DATE_POT_GGA std::string("01Apr2000") |
| #define | DEFAULT_VASP_POTCAR_DATE_POT_GGA XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DATE_POT_GGA") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POT_LDA std::string("pot_LDA") |
| #define | DEFAULT_VASP_POTCAR_DIR_POT_LDA XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POT_LDA") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POT_GGA std::string("pot_GGA") |
| #define | DEFAULT_VASP_POTCAR_DIR_POT_GGA XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POT_GGA") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POT_PBE std::string("pot_PBE") |
| #define | DEFAULT_VASP_POTCAR_DIR_POT_PBE XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POT_PBE") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POTPAW_LDA std::string("potpaw_LDA") |
| #define | DEFAULT_VASP_POTCAR_DIR_POTPAW_LDA XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POTPAW_LDA") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POTPAW_GGA std::string("potpaw_GGA") |
| #define | DEFAULT_VASP_POTCAR_DIR_POTPAW_GGA XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POTPAW_GGA") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POTPAW_PBE std::string("potpaw_PBE") |
| #define | DEFAULT_VASP_POTCAR_DIR_POTPAW_PBE XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POTPAW_PBE") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POTPAW_LDA_KIN std::string("potpaw_LDA.54") |
| #define | DEFAULT_VASP_POTCAR_DIR_POTPAW_LDA_KIN XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POTPAW_LDA_KIN") |
| #define | AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POTPAW_PBE_KIN std::string("potpaw_PBE.54") |
| #define | DEFAULT_VASP_POTCAR_DIR_POTPAW_PBE_KIN XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POTPAW_PBE_KIN") |
| #define | AFLOWRC_DEFAULT_BANDS_GRID 20 |
| #define | DEFAULT_BANDS_GRID XHOST.adefault.getattachedutype<int>("DEFAULT_BANDS_GRID") |
| #define | AFLOWRC_DEFAULT_BANDS_LATTICE std::string("AUTO") |
| #define | DEFAULT_BANDS_LATTICE XHOST.adefault.getattachedscheme("DEFAULT_BANDS_LATTICE") |
| #define | AFLOWRC_DEFAULT_KSCHEME std::string("AUTO") |
| #define | DEFAULT_KSCHEME XHOST.adefault.getattachedscheme("DEFAULT_KSCHEME") |
| #define | AFLOWRC_DEFAULT_KPPRA 6000 |
| #define | DEFAULT_KPPRA XHOST.adefault.getattachedutype<int>("DEFAULT_KPPRA") |
| #define | AFLOWRC_DEFAULT_KPPRA_STATIC 10000 |
| #define | DEFAULT_KPPRA_STATIC XHOST.adefault.getattachedutype<int>("DEFAULT_KPPRA_STATIC") |
| #define | AFLOWRC_DEFAULT_STATIC_KSCHEME std::string("AUTO") |
| #define | DEFAULT_STATIC_KSCHEME XHOST.adefault.getattachedscheme("DEFAULT_STATIC_KSCHEME") |
| #define | AFLOWRC_DEFAULT_KPPRA_DIELECTRIC 12500 |
| #define | DEFAULT_KPPRA_DIELECTRIC XHOST.adefault.getattachedutype<int>("DEFAULT_KPPRA_DIELECTRIC") |
| #define | AFLOWRC_DEFAULT_DIELECTRIC_KSCHEME std::string("AUTO") |
| #define | DEFAULT_DIELECTRIC_KSCHEME XHOST.adefault.getattachedscheme("DEFAULT_DIELECTRIC_KSCHEME") |
| #define | AFLOWRC_DEFAULT_KPPRA_ICSD 8000 |
| #define | DEFAULT_KPPRA_ICSD XHOST.adefault.getattachedutype<int>("DEFAULT_KPPRA_ICSD") |
| #define | AFLOWRC_DEFAULT_UNARY_BANDS_GRID 128 |
| #define | DEFAULT_UNARY_BANDS_GRID XHOST.adefault.getattachedutype<int>("DEFAULT_UNARY_BANDS_GRID") |
| #define | AFLOWRC_DEFAULT_UNARY_KPPRA 8000 |
| #define | DEFAULT_UNARY_KPPRA XHOST.adefault.getattachedutype<int>("DEFAULT_UNARY_KPPRA") |
| #define | AFLOWRC_DEFAULT_UNARY_KPPRA_STATIC 8000 |
| #define | DEFAULT_UNARY_KPPRA_STATIC XHOST.adefault.getattachedutype<int>("DEFAULT_UNARY_KPPRA_STATIC") |
| #define | AFLOWRC_DEFAULT_UNARY_KPPRA_DIELECTRIC 8000 |
| #define | DEFAULT_UNARY_KPPRA_DIELECTRIC XHOST.adefault.getattachedutype<int>("DEFAULT_UNARY_KPPRA_DIELECTRIC") |
| #define | AFLOWRC_DEFAULT_PHONONS_KSCHEME std::string("G") |
| #define | DEFAULT_PHONONS_KSCHEME XHOST.adefault.getattachedscheme("DEFAULT_PHONONS_KSCHEME") |
| #define | AFLOWRC_DEFAULT_PHONONS_KPPRA 3000 |
| #define | DEFAULT_PHONONS_KPPRA XHOST.adefault.getattachedutype<int>("DEFAULT_PHONONS_KPPRA") |
| #define | AFLOWRC_DEFAULT_DOS_EMIN -10.0 |
| #define | DEFAULT_DOS_EMIN XHOST.adefault.getattachedutype<double>("DEFAULT_DOS_EMIN") |
| #define | AFLOWRC_DEFAULT_DOS_EMAX 10.0 |
| #define | DEFAULT_DOS_EMAX XHOST.adefault.getattachedutype<double>("DEFAULT_DOS_EMAX") |
| #define | AFLOWRC_DEFAULT_DOS_SCALE 1.2 |
| #define | DEFAULT_DOS_SCALE XHOST.adefault.getattachedutype<double>("DEFAULT_DOS_SCALE") |
| #define | AFLOWRC_DEFAULT_VASP_PREC_ENMAX_LOW 1.0 |
| #define | DEFAULT_VASP_PREC_ENMAX_LOW XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_ENMAX_LOW") |
| #define | AFLOWRC_DEFAULT_VASP_PREC_ENMAX_MEDIUM 1.3 |
| #define | DEFAULT_VASP_PREC_ENMAX_MEDIUM XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_ENMAX_MEDIUM") |
| #define | AFLOWRC_DEFAULT_VASP_PREC_ENMAX_NORMAL 1.3 |
| #define | DEFAULT_VASP_PREC_ENMAX_NORMAL XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_ENMAX_NORMAL") |
| #define | AFLOWRC_DEFAULT_VASP_PREC_ENMAX_HIGH 1.4 |
| #define | DEFAULT_VASP_PREC_ENMAX_HIGH XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_ENMAX_HIGH") |
| #define | AFLOWRC_DEFAULT_VASP_PREC_ENMAX_ACCURATE 1.4 |
| #define | DEFAULT_VASP_PREC_ENMAX_ACCURATE XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_ENMAX_ACCURATE") |
| #define | AFLOWRC_DEFAULT_VASP_ENMAX_MINIMUM 0.25 |
| #define | DEFAULT_VASP_ENMAX_MINIMUM XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_ENMAX_MINIMUM") |
| #define | AFLOWRC_DEFAULT_VASP_SPIN_REMOVE_CUTOFF 0.05 |
| #define | DEFAULT_VASP_SPIN_REMOVE_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_SPIN_REMOVE_CUTOFF") |
| #define | AFLOWRC_DEFAULT_VASP_PREC_POTIM 0.5 |
| #define | DEFAULT_VASP_PREC_POTIM XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_POTIM") |
| #define | AFLOWRC_DEFAULT_VASP_PREC_EDIFFG -1E-3 |
| #define | DEFAULT_VASP_PREC_EDIFFG XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_EDIFFG") |
| #define | AFLOWRC_DEFAULT_VASP_OUT std::string("vasp.out") |
| #define | DEFAULT_VASP_OUT XHOST.adefault.getattachedscheme("DEFAULT_VASP_OUT") |
| #define | AFLOWRC_DEFAULT_VASP_EXTERNAL_INCAR std::string("./INCAR") |
| #define | DEFAULT_VASP_EXTERNAL_INCAR XHOST.adefault.getattachedscheme("DEFAULT_VASP_EXTERNAL_INCAR") |
| #define | AFLOWRC_DEFAULT_VASP_EXTERNAL_POSCAR std::string("./POSCAR") |
| #define | DEFAULT_VASP_EXTERNAL_POSCAR XHOST.adefault.getattachedscheme("DEFAULT_VASP_EXTERNAL_POSCAR") |
| #define | AFLOWRC_DEFAULT_VASP_EXTERNAL_POTCAR std::string("./POTCAR") |
| #define | DEFAULT_VASP_EXTERNAL_POTCAR XHOST.adefault.getattachedscheme("DEFAULT_VASP_EXTERNAL_POTCAR") |
| #define | AFLOWRC_DEFAULT_VASP_EXTERNAL_KPOINTS std::string("./KPOINTS") |
| #define | DEFAULT_VASP_EXTERNAL_KPOINTS XHOST.adefault.getattachedscheme("DEFAULT_VASP_EXTERNAL_KPOINTS") |
| #define | AFLOWRC_DEFAULT_AIMS_EXTERNAL_CONTROL std::string("./control.in") |
| #define | DEFAULT_AIMS_EXTERNAL_CONTROL XHOST.adefault.getattachedscheme("DEFAULT_AIMS_EXTERNAL_CONTROL") |
| #define | AFLOWRC_DEFAULT_AIMS_EXTERNAL_GEOM std::string("./geometry.in") |
| #define | DEFAULT_AIMS_EXTERNAL_GEOM XHOST.adefault.getattachedscheme("DEFAULT_AIMS_EXTERNAL_GEOM") |
| #define | AFLOWRC_DEFAULT_VASP_PSEUDOPOTENTIAL_TYPE std::string("potpaw_PBE") |
| #define | DEFAULT_VASP_PSEUDOPOTENTIAL_TYPE XHOST.adefault.getattachedscheme("DEFAULT_VASP_PSEUDOPOTENTIAL_TYPE") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_RELAX_MODE_SCHEME std::string("ENERGY") |
| #define | DEFAULT_VASP_FORCE_OPTION_RELAX_MODE_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_RELAX_MODE_SCHEME") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_RELAX_COUNT 2 |
| #define | DEFAULT_VASP_FORCE_OPTION_RELAX_COUNT XHOST.adefault.getattachedutype<int>("DEFAULT_VASP_FORCE_OPTION_RELAX_COUNT") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_PREC_SCHEME std::string("ACCURATE") |
| #define | DEFAULT_VASP_FORCE_OPTION_PREC_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_PREC_SCHEME") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_ALGO_SCHEME std::string("NORMAL") |
| #define | DEFAULT_VASP_FORCE_OPTION_ALGO_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_ALGO_SCHEME") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_METAGGA_SCHEME std::string("NONE") |
| #define | DEFAULT_VASP_FORCE_OPTION_METAGGA_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_METAGGA_SCHEME") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_IVDW_SCHEME std::string("0") |
| #define | DEFAULT_VASP_FORCE_OPTION_IVDW_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_IVDW_SCHEME") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_TYPE_SCHEME std::string("DEFAULT") |
| #define | DEFAULT_VASP_FORCE_OPTION_TYPE_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_TYPE_SCHEME") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_ISMEAR_SCHEME 1 |
| #define | DEFAULT_VASP_FORCE_OPTION_ISMEAR_SCHEME XHOST.adefault.getattachedutype<int>("DEFAULT_VASP_FORCE_OPTION_ISMEAR_SCHEME") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_ISMEAR_STATIC_SCHEME -5 |
| #define | DEFAULT_VASP_FORCE_OPTION_ISMEAR_STATIC_SCHEME XHOST.adefault.getattachedutype<int>("DEFAULT_VASP_FORCE_OPTION_ISMEAR_STATIC_SCHEME") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_ISMEAR_BANDS_SCHEME 0 |
| #define | DEFAULT_VASP_FORCE_OPTION_ISMEAR_BANDS_SCHEME XHOST.adefault.getattachedutype<int>("DEFAULT_VASP_FORCE_OPTION_ISMEAR_BANDS_SCHEME") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SIGMA 0.1 |
| #define | DEFAULT_VASP_FORCE_OPTION_SIGMA XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_FORCE_OPTION_SIGMA") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SIGMA_STATIC 0.05 |
| #define | DEFAULT_VASP_FORCE_OPTION_SIGMA_STATIC XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_FORCE_OPTION_SIGMA_STATIC") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SIGMA_BANDS 0.05 |
| #define | DEFAULT_VASP_FORCE_OPTION_SIGMA_BANDS XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_FORCE_OPTION_SIGMA_BANDS") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_NELM 60 |
| #define | DEFAULT_VASP_FORCE_OPTION_NELM XHOST.adefault.getattachedutype<int>("DEFAULT_VASP_FORCE_OPTION_NELM") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_NELM_STATIC 120 |
| #define | DEFAULT_VASP_FORCE_OPTION_NELM_STATIC XHOST.adefault.getattachedutype<int>("DEFAULT_VASP_FORCE_OPTION_NELM_STATIC") |
| #define | AFLOWRC_MAX_VASP_NELM 300 |
| #define | MAX_VASP_NELM XHOST.adefault.getattachedutype<int>("MAX_VASP_NELM") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_ABMIX_SCHEME std::string("DEFAULT") |
| #define | DEFAULT_VASP_FORCE_OPTION_ABMIX_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_ABMIX_SCHEME") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SYM true |
| #define | DEFAULT_VASP_FORCE_OPTION_SYM XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_SYM") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SPIN true |
| #define | DEFAULT_VASP_FORCE_OPTION_SPIN XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_SPIN") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_1 false |
| #define | DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_1 XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_1") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_2 true |
| #define | DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_2 XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_2") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_BADER false |
| #define | DEFAULT_VASP_FORCE_OPTION_BADER XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_BADER") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_BADER_STATIC true |
| #define | DEFAULT_VASP_FORCE_OPTION_BADER_STATIC XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_BADER_STATIC") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_ELF false |
| #define | DEFAULT_VASP_FORCE_OPTION_ELF XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_ELF") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_AUTO_MAGMOM false |
| #define | DEFAULT_VASP_FORCE_OPTION_AUTO_MAGMOM XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_AUTO_MAGMOM") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_WAVECAR false |
| #define | DEFAULT_VASP_FORCE_OPTION_WAVECAR XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_WAVECAR") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_CHGCAR true |
| #define | DEFAULT_VASP_FORCE_OPTION_CHGCAR XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_CHGCAR") |
| #define | AFLOWRC_DEFAULT_VASP_FORCE_OPTION_LSCOUPLING false |
| #define | DEFAULT_VASP_FORCE_OPTION_LSCOUPLING XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_LSCOUPLING") |
| #define | AFLOWRC_DEFAULT_AFLOW_LIBRARY_DIRECTORIES std::string("/common/AFLOW/LIBS/,/home/aflow/common/AFLOW/LIBS/,/fslhome/glh43/src/,/usr/local/bin/,/fslhome/fslcollab8/group/bin/,/home/auro/work/AFLOW3/,~/common/AFLOW/LIBS/,./,/nics/a/proj/aflow/common/AFLOW/LIBS/,/home/users/aflow/common/AFLOW/LIBS,/home/junkai/PROTO_DATABASE/,/projects/kyang-group/common/LIBS,/somewhere/") |
| #define | DEFAULT_AFLOW_LIBRARY_DIRECTORIES XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_LIBRARY_DIRECTORIES") |
| #define | AFLOWRC_DEFAULT_AFLOW_PROJECTS_DIRECTORIES std::string("/common/AUID,/common/ICSD,/common/LIB0,/common/LIB1,/common/LIB2,/common/LIB3,/common/LIB4,/common/LIB5,/common/LIB6,/common/LIB7,/common/LIB8,/common/LIB9") |
| #define | DEFAULT_AFLOW_PROJECTS_DIRECTORIES XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PROJECTS_DIRECTORIES") |
| #define | AFLOWRC_DEFAULT_AFLOWDATA_WEB_DIRECTORY std::string("/www/AFLOWDATA") |
| #define | DEFAULT_AFLOWDATA_WEB_DIRECTORY XHOST.adefault.getattachedscheme("DEFAULT_AFLOWDATA_WEB_DIRECTORY") |
| #define | AFLOWRC_DEFAULT_PLATON_P_EQUAL false |
| #define | DEFAULT_PLATON_P_EQUAL XHOST.adefault.getattachedutype<bool>("DEFAULT_PLATON_P_EQUAL") |
| #define | AFLOWRC_DEFAULT_PLATON_P_EXACT false |
| #define | DEFAULT_PLATON_P_EXACT XHOST.adefault.getattachedutype<bool>("DEFAULT_PLATON_P_EXACT") |
| #define | AFLOWRC_DEFAULT_PLATON_P_ANG 1.0 |
| #define | DEFAULT_PLATON_P_ANG XHOST.adefault.getattachedutype<double>("DEFAULT_PLATON_P_ANG") |
| #define | AFLOWRC_DEFAULT_PLATON_P_D1 0.25 |
| #define | DEFAULT_PLATON_P_D1 XHOST.adefault.getattachedutype<double>("DEFAULT_PLATON_P_D1") |
| #define | AFLOWRC_DEFAULT_PLATON_P_D2 0.25 |
| #define | DEFAULT_PLATON_P_D2 XHOST.adefault.getattachedutype<double>("DEFAULT_PLATON_P_D2") |
| #define | AFLOWRC_DEFAULT_PLATON_P_D3 0.25 |
| #define | DEFAULT_PLATON_P_D3 XHOST.adefault.getattachedutype<double>("DEFAULT_PLATON_P_D3") |
| #define | AFLOWRC_DEFAULT_FINDSYM_TOL 1.0e-3 |
| #define | DEFAULT_FINDSYM_TOL XHOST.adefault.getattachedutype<double>("DEFAULT_FINDSYM_TOL") |
| #define | AFLOWRC_DEFAULT_GNUPLOT_EPS_FONT std::string("Helvetica") |
| #define | DEFAULT_GNUPLOT_EPS_FONT XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_EPS_FONT") |
| #define | AFLOWRC_DEFAULT_GNUPLOT_EPS_FONT_BOLD std::string("Helvetica-Bold") |
| #define | DEFAULT_GNUPLOT_EPS_FONT_BOLD XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_EPS_FONT_BOLD") |
| #define | AFLOWRC_DEFAULT_GNUPLOT_EPS_FONT_ITALICS std::string("Helvetica-Oblique") |
| #define | DEFAULT_GNUPLOT_EPS_FONT_ITALICS XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_EPS_FONT_ITALICS") |
| #define | AFLOWRC_DEFAULT_GNUPLOT_EPS_FONT_BOLD_ITALICS std::string("Helvetica-BoldOblique") |
| #define | DEFAULT_GNUPLOT_EPS_FONT_BOLD_ITALICS XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_EPS_FONT_BOLD_ITALICS") |
| #define | AFLOWRC_DEFAULT_GNUPLOT_PNG_FONT std::string("Arial") |
| #define | DEFAULT_GNUPLOT_PNG_FONT XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_PNG_FONT") |
| #define | AFLOWRC_DEFAULT_GNUPLOT_PNG_FONT_BOLD std::string("Arial_Bold") |
| #define | DEFAULT_GNUPLOT_PNG_FONT_BOLD XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_PNG_FONT_BOLD") |
| #define | AFLOWRC_DEFAULT_GNUPLOT_PNG_FONT_ITALICS std::string("Arial_Italic") |
| #define | DEFAULT_GNUPLOT_PNG_FONT_ITALICS XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_PNG_FONT_ITALICS") |
| #define | AFLOWRC_DEFAULT_GNUPLOT_PNG_FONT_BOLD_ITALICS std::string("Arial_BoldItalic") |
| #define | DEFAULT_GNUPLOT_PNG_FONT_BOLD_ITALICS XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_PNG_FONT_BOLD_ITALICS") |
| #define | AFLOWRC_DEFAULT_GNUPLOT_GREEK_FONT std::string("Symbol") |
| #define | DEFAULT_GNUPLOT_GREEK_FONT XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_GREEK_FONT") |
| #define | AFLOWRC_DEFAULT_GNUPLOT_GREEK_FONT_BOLD std::string("Symbol-Bold") |
| #define | DEFAULT_GNUPLOT_GREEK_FONT_BOLD XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_GREEK_FONT_BOLD") |
| #define | AFLOWRC_DEFAULT_GNUPLOT_GREEK_FONT_ITALICS std::string("Symbol-Oblique") |
| #define | DEFAULT_GNUPLOT_GREEK_FONT_ITALICS XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_GREEK_FONT_ITALICS") |
| #define | AFLOWRC_DEFAULT_GNUPLOT_GREEK_FONT_BOLD_ITALICS std::string("Symbol-BoldOblique") |
| #define | DEFAULT_GNUPLOT_GREEK_FONT_BOLD_ITALICS XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_GREEK_FONT_BOLD_ITALICS") |
| #define | AFLOWRC_DEFAULT_CHULL_ALLOWED_DFT_TYPES std::string("PAW_PBE,PAW_PBE_KIN") |
| #define | DEFAULT_CHULL_ALLOWED_DFT_TYPES XHOST.adefault.getattachedscheme("DEFAULT_CHULL_ALLOWED_DFT_TYPES") |
| #define | AFLOWRC_DEFAULT_CHULL_ALLOW_ALL_FORMATION_ENERGIES false |
| #define | DEFAULT_CHULL_ALLOW_ALL_FORMATION_ENERGIES XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_ALLOW_ALL_FORMATION_ENERGIES") |
| #define | AFLOWRC_DEFAULT_CHULL_COUNT_THRESHOLD_BINARIES 200 |
| #define | DEFAULT_CHULL_COUNT_THRESHOLD_BINARIES XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_COUNT_THRESHOLD_BINARIES") |
| #define | AFLOWRC_DEFAULT_CHULL_PERFORM_OUTLIER_ANALYSIS true |
| #define | DEFAULT_CHULL_PERFORM_OUTLIER_ANALYSIS XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_PERFORM_OUTLIER_ANALYSIS") |
| #define | AFLOWRC_DEFAULT_CHULL_OUTLIER_ANALYSIS_COUNT_THRESHOLD_BINARIES 75 |
| #define | DEFAULT_CHULL_OUTLIER_ANALYSIS_COUNT_THRESHOLD_BINARIES XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_OUTLIER_ANALYSIS_COUNT_THRESHOLD_BINARIES") |
| #define | AFLOWRC_DEFAULT_CHULL_OUTLIER_MULTIPLIER 3.25 |
| #define | DEFAULT_CHULL_OUTLIER_MULTIPLIER XHOST.adefault.getattachedutype<double>("DEFAULT_CHULL_OUTLIER_MULTIPLIER") |
| #define | AFLOWRC_DEFAULT_CHULL_IGNORE_KNOWN_ILL_CONVERGED true |
| #define | DEFAULT_CHULL_IGNORE_KNOWN_ILL_CONVERGED XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_IGNORE_KNOWN_ILL_CONVERGED") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_BANNER 2 |
| #define | DEFAULT_CHULL_LATEX_BANNER XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_LATEX_BANNER") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_COMPOUNDS_COLUMN false |
| #define | DEFAULT_CHULL_LATEX_COMPOUNDS_COLUMN XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_COMPOUNDS_COLUMN") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_STOICH_HEADER false |
| #define | DEFAULT_CHULL_LATEX_STOICH_HEADER XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_STOICH_HEADER") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_PLOT_UNARIES false |
| #define | DEFAULT_CHULL_LATEX_PLOT_UNARIES XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_PLOT_UNARIES") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_PLOT_OFF_HULL -1 |
| #define | DEFAULT_CHULL_LATEX_PLOT_OFF_HULL XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_LATEX_PLOT_OFF_HULL") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_PLOT_UNSTABLE false |
| #define | DEFAULT_CHULL_LATEX_PLOT_UNSTABLE XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_PLOT_UNSTABLE") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_FILTER_SCHEME std::string("") |
| #define | DEFAULT_CHULL_LATEX_FILTER_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_CHULL_LATEX_FILTER_SCHEME") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_FILTER_VALUE 0.0 |
| #define | DEFAULT_CHULL_LATEX_FILTER_VALUE XHOST.adefault.getattachedutype<double>("DEFAULT_CHULL_LATEX_FILTER_VALUE") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_COLOR_BAR true |
| #define | DEFAULT_CHULL_LATEX_COLOR_BAR XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_COLOR_BAR") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_HEAT_MAP true |
| #define | DEFAULT_CHULL_LATEX_HEAT_MAP XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_HEAT_MAP") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_COLOR_GRADIENT true |
| #define | DEFAULT_CHULL_LATEX_COLOR_GRADIENT XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_COLOR_GRADIENT") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_COLOR_MAP std::string("") |
| #define | DEFAULT_CHULL_LATEX_COLOR_MAP XHOST.adefault.getattachedscheme("DEFAULT_CHULL_LATEX_COLOR_MAP") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_TERNARY_LABEL_COLOR std::string("") |
| #define | DEFAULT_CHULL_LATEX_TERNARY_LABEL_COLOR XHOST.adefault.getattachedscheme("DEFAULT_CHULL_LATEX_TERNARY_LABEL_COLOR") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_REVERSE_AXIS false |
| #define | DEFAULT_CHULL_LATEX_REVERSE_AXIS XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_REVERSE_AXIS") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_FACET_LINE_DROP_SHADOW false |
| #define | DEFAULT_CHULL_LATEX_FACET_LINE_DROP_SHADOW XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_FACET_LINE_DROP_SHADOW") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_LINKS 1 |
| #define | DEFAULT_CHULL_LATEX_LINKS XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_LATEX_LINKS") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_LABEL_NAME std::string("") |
| #define | DEFAULT_CHULL_LATEX_LABEL_NAME XHOST.adefault.getattachedscheme("DEFAULT_CHULL_LATEX_LABEL_NAME") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_META_LABELS false |
| #define | DEFAULT_CHULL_LATEX_META_LABELS XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_META_LABELS") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_LABELS_OFF_HULL false |
| #define | DEFAULT_CHULL_LATEX_LABELS_OFF_HULL XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_LABELS_OFF_HULL") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_PLOT_REDUCED_COMPOSITION -1 |
| #define | DEFAULT_CHULL_LATEX_PLOT_REDUCED_COMPOSITION XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_LATEX_PLOT_REDUCED_COMPOSITION") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_HELVETICA_FONT false |
| #define | DEFAULT_CHULL_LATEX_HELVETICA_FONT XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_HELVETICA_FONT") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_FONT_SIZE std::string("") |
| #define | DEFAULT_CHULL_LATEX_FONT_SIZE XHOST.adefault.getattachedscheme("DEFAULT_CHULL_LATEX_FONT_SIZE") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_ROTATE_LABELS true |
| #define | DEFAULT_CHULL_LATEX_ROTATE_LABELS XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_ROTATE_LABELS") |
| #define | AFLOWRC_DEFAULT_CHULL_LATEX_BOLD_LABELS -1 |
| #define | DEFAULT_CHULL_LATEX_BOLD_LABELS XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_LATEX_BOLD_LABELS") |
| #define | AFLOWRC_DEFAULT_CHULL_PNG_RESOLUTION 300 |
| #define | DEFAULT_CHULL_PNG_RESOLUTION XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_PNG_RESOLUTION") |
| #define | AFLOWRC_DEFAULT_GFA_FORMATION_ENTHALPY_CUTOFF 0.05 |
| #define | DEFAULT_GFA_FORMATION_ENTHALPY_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_GFA_FORMATION_ENTHALPY_CUTOFF") |
| #define | AFLOWRC_ARUN_DIRECTORY_PREFIX std::string("ARUN.") |
| #define | ARUN_DIRECTORY_PREFIX XHOST.adefault.getattachedscheme("ARUN_DIRECTORY_PREFIX") |
| #define | AFLOWRC_DEFAULT_POCC_STRUCTURE_GENERATION_ALGO std::string("UFF") |
| #define | DEFAULT_POCC_STRUCTURE_GENERATION_ALGO XHOST.adefault.getattachedscheme("DEFAULT_POCC_STRUCTURE_GENERATION_ALGO") |
| #define | AFLOWRC_DEFAULT_POCC_TEMPERATURE_STRING std::string("0:2400:300") |
| #define | DEFAULT_POCC_TEMPERATURE_STRING XHOST.adefault.getattachedscheme("DEFAULT_POCC_TEMPERATURE_STRING") |
| #define | AFLOWRC_DEFAULT_POCC_EXCLUDE_UNSTABLE true |
| #define | DEFAULT_POCC_EXCLUDE_UNSTABLE XHOST.adefault.getattachedutype<bool>("DEFAULT_POCC_EXCLUDE_UNSTABLE") |
| #define | AFLOWRC_DEFAULT_POCC_SITE_TOL 0.001 |
| #define | DEFAULT_POCC_SITE_TOL XHOST.adefault.getattachedutype<double>("DEFAULT_POCC_SITE_TOL") |
| #define | AFLOWRC_DEFAULT_POCC_STOICH_TOL 0.001 |
| #define | DEFAULT_POCC_STOICH_TOL XHOST.adefault.getattachedutype<double>("DEFAULT_POCC_STOICH_TOL") |
| #define | AFLOWRC_DEFAULT_UFF_BONDING_DISTANCE 0.5 |
| #define | DEFAULT_UFF_BONDING_DISTANCE XHOST.adefault.getattachedutype<double>("DEFAULT_UFF_BONDING_DISTANCE") |
| #define | AFLOWRC_DEFAULT_UFF_ENERGY_TOLERANCE 1e-6 |
| #define | DEFAULT_UFF_ENERGY_TOLERANCE XHOST.adefault.getattachedutype<double>("DEFAULT_UFF_ENERGY_TOLERANCE") |
| #define | AFLOWRC_DEFAULT_UFF_CLUSTER_RADIUS 10 |
| #define | DEFAULT_UFF_CLUSTER_RADIUS XHOST.adefault.getattachedutype<double>("DEFAULT_UFF_CLUSTER_RADIUS") |
| #define | AFLOWRC_DEFAULT_POCC_RDF_RMAX 50 |
| #define | DEFAULT_POCC_RDF_RMAX XHOST.adefault.getattachedutype<double>("DEFAULT_POCC_RDF_RMAX") |
| #define | AFLOWRC_DEFAULT_POCC_RDF_NBINS 50 |
| #define | DEFAULT_POCC_RDF_NBINS XHOST.adefault.getattachedutype<double>("DEFAULT_POCC_RDF_NBINS") |
| #define | AFLOWRC_DEFAULT_POCC_PERFORM_ROBUST_STRUCTURE_COMPARISON false |
| #define | DEFAULT_POCC_PERFORM_ROBUST_STRUCTURE_COMPARISON XHOST.adefault.getattachedutype<bool>("DEFAULT_POCC_PERFORM_ROBUST_STRUCTURE_COMPARISON") |
| #define | AFLOWRC_DEFAULT_POCC_WRITE_OUT_ALL_SUPERCELLS false |
| #define | DEFAULT_POCC_WRITE_OUT_ALL_SUPERCELLS XHOST.adefault.getattachedutype<bool>("DEFAULT_POCC_WRITE_OUT_ALL_SUPERCELLS") |
| #define | AFLOWRC_POCC_FILE_PREFIX std::string("aflow.pocc.") |
| #define | POCC_FILE_PREFIX XHOST.adefault.getattachedscheme("POCC_FILE_PREFIX") |
| #define | AFLOWRC_POCC_OUT_FILE std::string("out") |
| #define | POCC_OUT_FILE XHOST.adefault.getattachedscheme("POCC_OUT_FILE") |
| #define | AFLOWRC_POCC_APL_OUT_FILE std::string("apl.out") |
| #define | POCC_APL_OUT_FILE XHOST.adefault.getattachedscheme("POCC_APL_OUT_FILE") |
| #define | AFLOWRC_POCC_ALL_SUPERCELLS_FILE std::string("structures_all.out") |
| #define | POCC_ALL_SUPERCELLS_FILE XHOST.adefault.getattachedscheme("POCC_ALL_SUPERCELLS_FILE") |
| #define | AFLOWRC_POCC_UNIQUE_SUPERCELLS_FILE std::string("structures_unique.out") |
| #define | POCC_UNIQUE_SUPERCELLS_FILE XHOST.adefault.getattachedscheme("POCC_UNIQUE_SUPERCELLS_FILE") |
| #define | AFLOWRC_POCC_ALL_HNF_MATRICES_FILE std::string("hnf_matrices.out") |
| #define | POCC_ALL_HNF_MATRICES_FILE XHOST.adefault.getattachedscheme("POCC_ALL_HNF_MATRICES_FILE") |
| #define | AFLOWRC_POCC_ALL_SITE_CONFIGURATIONS_FILE std::string("site_configurations.out") |
| #define | POCC_ALL_SITE_CONFIGURATIONS_FILE XHOST.adefault.getattachedscheme("POCC_ALL_SITE_CONFIGURATIONS_FILE") |
| #define | AFLOWRC_POCC_DOSCAR_FILE std::string("DOSCAR.pocc") |
| #define | POCC_DOSCAR_FILE XHOST.adefault.getattachedscheme("POCC_DOSCAR_FILE") |
| #define | AFLOWRC_POCC_PHDOSCAR_FILE std::string("PHDOSCAR.pocc") |
| #define | POCC_PHDOSCAR_FILE XHOST.adefault.getattachedscheme("POCC_PHDOSCAR_FILE") |
| #define | AFLOWRC_POCC_ANIONS_LIST std::string("B,C,N,O") |
| #define | POCC_ANIONS_LIST XHOST.adefault.getattachedscheme("POCC_ANIONS_LIST") |
| #define | AFLOWRC_DEFAULT_APL_PREC std::string("PHONONS") |
| #define | DEFAULT_APL_PREC XHOST.adefault.getattachedscheme("DEFAULT_APL_PREC") |
| #define | AFLOWRC_DEFAULT_APL_ENGINE std::string("DM") |
| #define | DEFAULT_APL_ENGINE XHOST.adefault.getattachedscheme("DEFAULT_APL_ENGINE") |
| #define | AFLOWRC_DEFAULT_APL_HIBERNATE true |
| #define | DEFAULT_APL_HIBERNATE XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_HIBERNATE") |
| #define | AFLOWRC_DEFAULT_APL_MINSHELL 6 |
| #define | DEFAULT_APL_MINSHELL XHOST.adefault.getattachedutype<int>("DEFAULT_APL_MINSHELL") |
| #define | AFLOWRC_DEFAULT_APL_MINATOMS 175 |
| #define | DEFAULT_APL_MINATOMS XHOST.adefault.getattachedutype<int>("DEFAULT_APL_MINATOMS") |
| #define | AFLOWRC_DEFAULT_APL_POLAR true |
| #define | DEFAULT_APL_POLAR XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_POLAR") |
| #define | AFLOWRC_DEFAULT_APL_DMAG 0.015 |
| #define | DEFAULT_APL_DMAG XHOST.adefault.getattachedutype<double>("DEFAULT_APL_DMAG") |
| #define | AFLOWRC_DEFAULT_APL_DXYZONLY false |
| #define | DEFAULT_APL_DXYZONLY XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DXYZONLY") |
| #define | AFLOWRC_DEFAULT_APL_DSYMMETRIZE true |
| #define | DEFAULT_APL_DSYMMETRIZE XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DSYMMETRIZE") |
| #define | AFLOWRC_DEFAULT_APL_DINEQUIV_ONLY true |
| #define | DEFAULT_APL_DINEQUIV_ONLY XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DINEQUIV_ONLY") |
| #define | AFLOWRC_DEFAULT_APL_DPM std::string("ON") |
| #define | DEFAULT_APL_DPM XHOST.adefault.getattachedscheme("DEFAULT_APL_DPM") |
| #define | AFLOWRC_DEFAULT_APL_RELAX true |
| #define | DEFAULT_APL_RELAX XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_RELAX") |
| #define | AFLOWRC_DEFAULT_APL_RELAX_COMMENSURATE true |
| #define | DEFAULT_APL_RELAX_COMMENSURATE XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_RELAX_COMMENSURATE") |
| #define | AFLOWRC_DEFAULT_APL_ZEROSTATE false |
| #define | DEFAULT_APL_ZEROSTATE XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_ZEROSTATE") |
| #define | AFLOWRC_DEFAULT_APL_ZEROSTATE_CHGCAR false |
| #define | DEFAULT_APL_ZEROSTATE_CHGCAR XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_ZEROSTATE_CHGCAR") |
| #define | AFLOWRC_DEFAULT_APL_USE_LEPSILON true |
| #define | DEFAULT_APL_USE_LEPSILON XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_USE_LEPSILON") |
| #define | AFLOWRC_DEFAULT_APL_FREQFORMAT std::string("THZ|ALLOW_NEGATIVE") |
| #define | DEFAULT_APL_FREQFORMAT XHOST.adefault.getattachedscheme("DEFAULT_APL_FREQFORMAT") |
| #define | AFLOWRC_DEFAULT_APL_DC true |
| #define | DEFAULT_APL_DC XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DC") |
| #define | AFLOWRC_DEFAULT_APL_DCPATH std::string("LATTICE") |
| #define | DEFAULT_APL_DCPATH XHOST.adefault.getattachedscheme("DEFAULT_APL_DCPATH") |
| #define | AFLOWRC_DEFAULT_APL_DCPOINTS 100 |
| #define | DEFAULT_APL_DCPOINTS XHOST.adefault.getattachedutype<int>("DEFAULT_APL_DCPOINTS") |
| #define | AFLOWRC_DEFAULT_APL_DOS true |
| #define | DEFAULT_APL_DOS XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DOS") |
| #define | AFLOWRC_DEFAULT_APL_DOSMETHOD std::string("LT") |
| #define | DEFAULT_APL_DOSMETHOD XHOST.adefault.getattachedscheme("DEFAULT_APL_DOSMETHOD") |
| #define | AFLOWRC_DEFAULT_APL_DOSMESH std::string("21x21x21") |
| #define | DEFAULT_APL_DOSMESH XHOST.adefault.getattachedscheme("DEFAULT_APL_DOSMESH") |
| #define | AFLOWRC_DEFAULT_APL_DOSPOINTS 2000 |
| #define | DEFAULT_APL_DOSPOINTS XHOST.adefault.getattachedutype<int>("DEFAULT_APL_DOSPOINTS") |
| #define | AFLOWRC_DEFAULT_APL_DOSSMEAR 0.0 |
| #define | DEFAULT_APL_DOSSMEAR XHOST.adefault.getattachedutype<double>("DEFAULT_APL_DOSSMEAR") |
| #define | AFLOWRC_DEFAULT_APL_DOS_PROJECT false |
| #define | DEFAULT_APL_DOS_PROJECT XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DOS_PROJECT") |
| #define | AFLOWRC_DEFAULT_APL_TP true |
| #define | DEFAULT_APL_TP XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_TP") |
| #define | AFLOWRC_DEFAULT_APL_DISPLACEMENTS true |
| #define | DEFAULT_APL_DISPLACEMENTS XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DISPLACEMENTS") |
| #define | AFLOWRC_DEFAULT_APL_TPT std::string("0:2000:10") |
| #define | DEFAULT_APL_TPT XHOST.adefault.getattachedscheme("DEFAULT_APL_TPT") |
| #define | AFLOWRC_DEFAULT_APL_GVEL true |
| #define | DEFAULT_APL_GVEL XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DISPLACEMENTS") |
| #define | AFLOWRC_DEFAULT_APL_FILE_PREFIX std::string("aflow.apl.") |
| #define | DEFAULT_APL_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_APL_FILE_PREFIX") |
| #define | AFLOWRC_DEFAULT_APL_OUT_FILE std::string("out") |
| #define | DEFAULT_APL_OUT_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_OUT_FILE") |
| #define | AFLOWRC_DEFAULT_APL_PDIS_FILE std::string("phonon_dispersion.out") |
| #define | DEFAULT_APL_PDIS_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_PDIS_FILE") |
| #define | AFLOWRC_DEFAULT_APL_PDOS_FILE std::string("phonon_dos.out") |
| #define | DEFAULT_APL_PDOS_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_PDOS_FILE") |
| #define | AFLOWRC_DEFAULT_APL_THERMO_FILE std::string("thermodynamic_properties.out") |
| #define | DEFAULT_APL_THERMO_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_THERMO_FILE") |
| #define | AFLOWRC_DEFAULT_APL_THERMO_JSON std::string("thermodynamic_properties.json") |
| #define | DEFAULT_APL_THERMO_JSON XHOST.adefault.getattachedscheme("DEFAULT_APL_THERMO_JSON") |
| #define | AFLOWRC_DEFAULT_APL_DYNMAT_FILE std::string("DYNMAT.out") |
| #define | DEFAULT_APL_DYNMAT_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_DYNMAT_FILE") |
| #define | AFLOWRC_DEFAULT_APL_HARMIFC_FILE std::string("harmonicIFCs.xml") |
| #define | DEFAULT_APL_HARMIFC_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_HARMIFC_FILE") |
| #define | AFLOWRC_DEFAULT_APL_POLAR_FILE std::string("polar.xml") |
| #define | DEFAULT_APL_POLAR_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_POLAR_FILE") |
| #define | AFLOWRC_DEFAULT_APL_HSKPTS_FILE std::string("hskpoints.out") |
| #define | DEFAULT_APL_HSKPTS_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_HSKPTS_FILE") |
| #define | AFLOWRC_DEFAULT_APL_MSQRDISP_FILE std::string("displacements.out") |
| #define | DEFAULT_APL_MSQRDISP_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_MSQRDISP_FILE") |
| #define | AFLOWRC_DEFAULT_APL_GVEL_FILE std::string("group_velocities.out") |
| #define | DEFAULT_APL_GVEL_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_GVEL_FILE") |
| #define | AFLOWRC_DEFAULT_APL_PHDOSCAR_FILE std::string("PHDOSCAR") |
| #define | DEFAULT_APL_PHDOSCAR_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_PHDOSCAR_FILE") |
| #define | AFLOWRC_DEFAULT_APL_PHPOSCAR_FILE std::string("PHPOSCAR") |
| #define | DEFAULT_APL_PHPOSCAR_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_PHPOSCAR_FILE") |
| #define | AFLOWRC_DEFAULT_APL_PHKPOINTS_FILE std::string("PHKPOINTS") |
| #define | DEFAULT_APL_PHKPOINTS_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_PHKPOINTS_FILE") |
| #define | AFLOWRC_DEFAULT_APL_PHEIGENVAL_FILE std::string("PHEIGENVAL") |
| #define | DEFAULT_APL_PHEIGENVAL_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_PHEIGENVAL_FILE") |
| #define | AFLOWRC_DEFAULT_APL_STATE_FILE std::string("fccalc_state.out") |
| #define | DEFAULT_APL_STATE_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_STATE_FILE") |
| #define | AFLOWRC_DEFAULT_APL_ADISP_SCENE_FORMAT std::string("XCRYSDEN") |
| #define | DEFAULT_APL_ADISP_SCENE_FORMAT XHOST.adefault.getattachedscheme("DEFAULT_APL_ADISP_SCENE_FORMAT") |
| #define | AFLOWRC_DEFAULT_APL_ADISP_AMPLITUDE 0.25 |
| #define | DEFAULT_APL_ADISP_AMPLITUDE XHOST.adefault.getattachedutype<double>("DEFAULT_APL_ADISP_AMPLITUDE") |
| #define | AFLOWRC_DEFAULT_APL_ADISP_NSTEPS 20 |
| #define | DEFAULT_APL_ADISP_NSTEPS XHOST.adefault.getattachedutype<int>("DEFAULT_APL_ADISP_NSTEPS") |
| #define | AFLOWRC_DEFAULT_APL_ADISP_NPERIODS 1 |
| #define | DEFAULT_APL_ADISP_NPERIODS XHOST.adefault.getattachedutype<int>("DEFAULT_APL_ADISP_NPERIODS") |
| #define | AFLOWRC_DEFAULT_QHA_MODE std::string("QHA") |
| #define | DEFAULT_QHA_MODE XHOST.adefault.getattachedscheme("DEFAULT_QHA_MODE") |
| #define | AFLOWRC_DEFAULT_QHA_EOS true |
| #define | DEFAULT_QHA_EOS XHOST.adefault.getattachedutype<bool>("DEFAULT_QHA_EOS") |
| #define | AFLOWRC_DEFAULT_QHA_EOS_DISTORTION_RANGE std::string("-12:16:3") |
| #define | DEFAULT_QHA_EOS_DISTORTION_RANGE XHOST.adefault.getattachedscheme("DEFAULT_QHA_EOS_DISTORTION_RANGE") |
| #define | AFLOWRC_DEFAULT_QHA_EOS_MODEL std::string("SJ") |
| #define | DEFAULT_QHA_EOS_MODEL XHOST.adefault.getattachedscheme("DEFAULT_QHA_EOS_MODEL") |
| #define | AFLOWRC_DEFAULT_QHA_GP_DISTORTION 1.0 |
| #define | DEFAULT_QHA_GP_DISTORTION XHOST.adefault.getattachedutype<double>("DEFAULT_QHA_GP_DISTORTION") |
| #define | AFLOWRC_DEFAULT_QHA_TAYLOR_EXPANSION_ORDER 2 |
| #define | DEFAULT_QHA_TAYLOR_EXPANSION_ORDER XHOST.adefault.getattachedutype<double>("DEFAULT_QHA_TAYLOR_EXPANSION_ORDER") |
| #define | AFLOWRC_DEFAULT_QHA_INCLUDE_ELEC_CONTRIB false |
| #define | DEFAULT_QHA_INCLUDE_ELEC_CONTRIB XHOST.adefault.getattachedutype<bool>("DEFAULT_QHA_INCLUDE_ELEC_CONTRIB") |
| #define | AFLOWRC_DEFAULT_QHA_SOMMERFELD_EXPANSION false |
| #define | DEFAULT_QHA_SOMMERFELD_EXPANSION XHOST.adefault.getattachedutype<bool>("DEFAULT_QHA_SOMMERFELD_EXPANSION") |
| #define | AFLOWRC_DEFAULT_QHA_PDIS_T std::string("300") |
| #define | DEFAULT_QHA_PDIS_T XHOST.adefault.getattachedscheme("DEFAULT_QHA_PDIS_T") |
| #define | AFLOWRC_DEFAULT_QHA_GP_FINITE_DIFF false |
| #define | DEFAULT_QHA_GP_FINITE_DIFF XHOST.adefault.getattachedutype<bool>("DEFAULT_QHA_GP_FINITE_DIFF") |
| #define | AFLOWRC_DEFAULT_QHA_IGNORE_IMAGINARY false |
| #define | DEFAULT_QHA_IGNORE_IMAGINARY XHOST.adefault.getattachedutype<bool>("DEFAULT_QHA_IGNORE_IMAGINARY") |
| #define | AFLOWRC_DEFAULT_QHA_RELAX_IONS_CELL false |
| #define | DEFAULT_QHA_RELAX_IONS_CELL XHOST.adefault.getattachedutype<bool>("DEFAULT_QHA_RELAX_IONS_CELL") |
| #define | AFLOWRC_DEFAULT_QHA_FILE_PREFIX std::string("aflow.qha.") |
| #define | DEFAULT_QHA_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_QHA_FILE_PREFIX") |
| #define | AFLOWRC_DEFAULT_QHA3P_FILE_PREFIX std::string("aflow.qha3p.") |
| #define | DEFAULT_QHA3P_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_QHA3P_FILE_PREFIX") |
| #define | AFLOWRC_DEFAULT_QHANP_FILE_PREFIX std::string("aflow.qhanp.") |
| #define | DEFAULT_QHANP_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_QHANP_FILE_PREFIX") |
| #define | AFLOWRC_DEFAULT_SCQHA_FILE_PREFIX std::string("aflow.scqha.") |
| #define | DEFAULT_SCQHA_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_SCQHA_FILE_PREFIX") |
| #define | AFLOWRC_DEFAULT_QHA_GP_PATH_FILE std::string("gp.disp.out") |
| #define | DEFAULT_QHA_GP_PATH_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_GP_PATH_FILE") |
| #define | AFLOWRC_DEFAULT_QHA_GP_MESH_FILE std::string("gp.mesh.out") |
| #define | DEFAULT_QHA_GP_MESH_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_GP_MESH_FILE") |
| #define | AFLOWRC_DEFAULT_QHA_GP_AVG_FILE std::string("gp.avg.out") |
| #define | DEFAULT_QHA_GP_AVG_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_GP_AVG_FILE") |
| #define | AFLOWRC_DEFAULT_QHA_THERMO_FILE std::string("thermo.out") |
| #define | DEFAULT_QHA_THERMO_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_THERMO_FILE") |
| #define | AFLOWRC_DEFAULT_QHA_FREQS_FILE std::string("frequencies.out") |
| #define | DEFAULT_QHA_FREQS_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_FREQS_FILE") |
| #define | AFLOWRC_DEFAULT_QHA_FVT_FILE std::string("FVT.out") |
| #define | DEFAULT_QHA_FVT_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_FVT_FILE") |
| #define | AFLOWRC_DEFAULT_QHA_COEFF_FILE std::string("coeff.out") |
| #define | DEFAULT_QHA_COEFF_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_COEFF_FILE") |
| #define | AFLOWRC_DEFAULT_QHA_IMAG_FILE std::string("imag.out") |
| #define | DEFAULT_QHA_IMAG_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_IMAG_FILE") |
| #define | AFLOWRC_DEFAULT_QHA_PDIS_FILE std::string("dispersion_phonon") |
| #define | DEFAULT_QHA_PDIS_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_PDIS_FILE") |
| #define | AFLOWRC_DEFAULT_QHA_PDOS_FILE std::string("dos_phonon") |
| #define | DEFAULT_QHA_PDOS_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_PDOS_FILE") |
| #define | AFLOWRC_DEFAULT_QHA_KPOINTS_FILE std::string("kpoints.out") |
| #define | DEFAULT_QHA_KPOINTS_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_KPOINTS_FILE") |
| #define | AFLOWRC_DEFAULT_POCC_QHA_THERMO_FILE std::string("qha.thermo.out") |
| #define | DEFAULT_POCC_QHA_THERMO_FILE XHOST.adefault.getattachedscheme("DEFAULT_POCC_QHA_THERMO_FILE") |
| #define | AFLOWRC_DEFAULT_POCC_QHA_AVGTHERMO_FILE std::string("qha.avgthermo.out") |
| #define | DEFAULT_POCC_QHA_AVGTHERMO_FILE XHOST.adefault.getattachedscheme("DEFAULT_POCC_QHA_AVGTHERMO_FILE") |
| #define | AFLOWRC_DEFAULT_AAPL_BTE std::string("FULL") |
| #define | DEFAULT_AAPL_BTE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_BTE") |
| #define | AFLOWRC_DEFAULT_AAPL_FOURTH_ORDER false |
| #define | DEFAULT_AAPL_FOURTH_ORDER XHOST.adefault.getattachedutype<bool>("DEFAULT_AAPL_FOURTH_ORDER") |
| #define | AFLOWRC_DEFAULT_AAPL_CUT_RAD std::string("0.0") |
| #define | DEFAULT_AAPL_CUT_RAD XHOST.adefault.getattachedscheme("DEFAULT_AAPL_CUT_RAD") |
| #define | AFLOWRC_DEFAULT_AAPL_CUT_SHELL std::string("6") |
| #define | DEFAULT_AAPL_CUT_SHELL XHOST.adefault.getattachedscheme("DEFAULT_AAPL_CUT_SHELL") |
| #define | AFLOWRC_DEFAULT_AAPL_THERMALGRID std::string("21x21x21") |
| #define | DEFAULT_AAPL_THERMALGRID XHOST.adefault.getattachedscheme("DEFAULT_AAPL_THERMALGRID") |
| #define | AFLOWRC_DEFAULT_AAPL_TCT std::string("50:550:50") |
| #define | DEFAULT_AAPL_TCT XHOST.adefault.getattachedscheme("DEFAULT_AAPL_TCT") |
| #define | AFLOWRC_DEFAULT_AAPL_SUMRULE 1e-7 |
| #define | DEFAULT_AAPL_SUMRULE XHOST.adefault.getattachedutype<double>("DEFAULT_AAPL_SUMRULE") |
| #define | AFLOWRC_DEFAULT_AAPL_SUMRULE_MAX_ITER 2000 |
| #define | DEFAULT_AAPL_SUMRULE_MAX_ITER XHOST.adefault.getattachedutype<int>("DEFAULT_AAPL_SUMRULE_MAX_ITER") |
| #define | AFLOWRC_DEFAULT_AAPL_MIXING_COEFFICIENT 0.0 |
| #define | DEFAULT_AAPL_MIXING_COEFFICIENT XHOST.adefault.getattachedutype<double>("DEFAULT_AAPL_MIXING_COEFFICIENT") |
| #define | AFLOWRC_DEFAULT_AAPL_ISOTOPE true |
| #define | DEFAULT_AAPL_ISOTOPE XHOST.adefault.getattachedutype<bool>("DEFAULT_AAPL_ISOTOPE") |
| #define | AFLOWRC_DEFAULT_AAPL_BOUNDARY false |
| #define | DEFAULT_AAPL_BOUNDARY XHOST.adefault.getattachedutype<bool>("DEFAULT_AAPL_BOUNDARY") |
| #define | AFLOWRC_DEFAULT_AAPL_CUMULATIVEK false |
| #define | DEFAULT_AAPL_CUMULATIVEK XHOST.adefault.getattachedutype<bool>("DEFAULT_AAPL_CUMULATIVEK") |
| #define | AFLOWRC_DEFAULT_AAPL_NANO_SIZE 100.0 |
| #define | DEFAULT_AAPL_NANO_SIZE XHOST.adefault.getattachedutype<double>("DEFAULT_AAPL_NANO_SIZE") |
| #define | AFLOWRC_DEFAULT_AAPL_FILE_PREFIX std::string("aflow.aapl.") |
| #define | DEFAULT_AAPL_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_AAPL_FILE_PREFIX") |
| #define | AFLOWRC_DEFAULT_AAPL_IRRQPTS_FILE std::string("irred_qpoints.out") |
| #define | DEFAULT_AAPL_IRRQPTS_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_IRRQPTS_FILE") |
| #define | AFLOWRC_DEFAULT_AAPL_GVEL_FILE std::string("group_velocities.out") |
| #define | DEFAULT_AAPL_GVEL_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_GVEL_FILE") |
| #define | AFLOWRC_DEFAULT_AAPL_PS_FILE std::string("phase_space.out") |
| #define | DEFAULT_AAPL_PS_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_PS_FILE") |
| #define | AFLOWRC_DEFAULT_AAPL_GRUENEISEN_FILE std::string("grueneisen.out") |
| #define | DEFAULT_AAPL_GRUENEISEN_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_GRUENEISEN_FILE") |
| #define | AFLOWRC_DEFAULT_AAPL_RATES_FILE std::string("scattering_rates_total.out") |
| #define | DEFAULT_AAPL_RATES_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_RATES_FILE") |
| #define | AFLOWRC_DEFAULT_AAPL_RATES_3RD_FILE std::string("scattering_rates_anharmonic_3rd.out") |
| #define | DEFAULT_AAPL_RATES_3RD_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_RATES_3RD_FILE") |
| #define | AFLOWRC_DEFAULT_AAPL_RATES_4TH_FILE DEFAULT_AAPL_FILE_PREFIX+std::string("scattering_rates_anharmonic_4th.out") |
| #define | DEFAULT_AAPL_RATES_4TH_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_RATES_4TH_FILE") |
| #define | AFLOWRC_DEFAULT_AAPL_ISOTOPE_FILE std::string("scattering_rates_isotope.out") |
| #define | DEFAULT_AAPL_ISOTOPE_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_ISOTOPE_FILE") |
| #define | AFLOWRC_DEFAULT_AAPL_BOUNDARY_FILE std::string("scattering_rates_boundary.out") |
| #define | DEFAULT_AAPL_BOUNDARY_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_BOUNDARY_FILE") |
| #define | AFLOWRC_DEFAULT_AAPL_TCOND_FILE std::string("thermal_conductivity.out") |
| #define | DEFAULT_AAPL_TCOND_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_TCOND_FILE") |
| #define | AFLOWRC_DEFAULT_AEL_STRAIN_SYMMETRY true |
| #define | DEFAULT_AEL_STRAIN_SYMMETRY XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_STRAIN_SYMMETRY") |
| #define | AFLOWRC_DEFAULT_AEL_NNORMAL_STRAINS 4 |
| #define | DEFAULT_AEL_NNORMAL_STRAINS XHOST.adefault.getattachedutype<int>("DEFAULT_AEL_NNORMAL_STRAINS") |
| #define | AFLOWRC_DEFAULT_AEL_NSHEAR_STRAINS 4 |
| #define | DEFAULT_AEL_NSHEAR_STRAINS XHOST.adefault.getattachedutype<int>("DEFAULT_AEL_NSHEAR_STRAINS") |
| #define | AFLOWRC_DEFAULT_AEL_NORMAL_STRAIN_STEP 0.005 |
| #define | DEFAULT_AEL_NORMAL_STRAIN_STEP XHOST.adefault.getattachedutype<double>("DEFAULT_AEL_NORMAL_STRAIN_STEP") |
| #define | AFLOWRC_DEFAULT_AEL_SHEAR_STRAIN_STEP 0.005 |
| #define | DEFAULT_AEL_SHEAR_STRAIN_STEP XHOST.adefault.getattachedutype<double>("DEFAULT_AEL_SHEAR_STRAIN_STEP") |
| #define | AFLOWRC_DEFAULT_AEL_ORIGIN_STRAIN_CALC false |
| #define | DEFAULT_AEL_ORIGIN_STRAIN_CALC XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_ORIGIN_STRAIN_CALC") |
| #define | AFLOWRC_DEFAULT_AEL_ORIGIN_STRAIN_FIT false |
| #define | DEFAULT_AEL_ORIGIN_STRAIN_FIT XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_ORIGIN_STRAIN_FIT") |
| #define | AFLOWRC_DEFAULT_AEL_RELAXED_STRUCT_FIT false |
| #define | DEFAULT_AEL_RELAXED_STRUCT_FIT XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_RELAXED_STRUCT_FIT") |
| #define | AFLOWRC_DEFAULT_AEL_NEG_STRAINS true |
| #define | DEFAULT_AEL_NEG_STRAINS XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_NEG_STRAINS") |
| #define | AFLOWRC_DEFAULT_AEL_NIND_STRAIN_DIRS 3 |
| #define | DEFAULT_AEL_NIND_STRAIN_DIRS XHOST.adefault.getattachedutype<int>("DEFAULT_AEL_NIND_STRAIN_DIRS") |
| #define | AFLOWRC_DEFAULT_AEL_VASPSYM false |
| #define | DEFAULT_AEL_VASPSYM XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_VASPSYM") |
| #define | AFLOWRC_DEFAULT_AEL_PRECACC_ALGONORM false |
| #define | DEFAULT_AEL_PRECACC_ALGONORM XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_PRECACC_ALGONORM") |
| #define | AFLOWRC_DEFAULT_AEL_VASPRUNXML_STRESS false |
| #define | DEFAULT_AEL_VASPRUNXML_STRESS XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_VASPRUNXML_STRESS") |
| #define | AFLOWRC_DEFAULT_AEL_AUTOSKIP_FAILED_ARUNS false |
| #define | DEFAULT_AEL_AUTOSKIP_FAILED_ARUNS XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_AUTOSKIP_FAILED_ARUNS") |
| #define | AFLOWRC_DEFAULT_AEL_SKIP_ARUNS_MAX 1 |
| #define | DEFAULT_AEL_SKIP_ARUNS_MAX XHOST.adefault.getattachedutype<int>("DEFAULT_AEL_SKIP_ARUNS_MAX") |
| #define | AFLOWRC_DEFAULT_AEL_CHECK_ELASTIC_SYMMETRY true |
| #define | DEFAULT_AEL_CHECK_ELASTIC_SYMMETRY XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_CHECK_ELASTIC_SYMMETRY") |
| #define | AFLOWRC_DEFAULT_AEL_SYMMETRIZE false |
| #define | DEFAULT_AEL_SYMMETRIZE XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_SYMMETRIZE") |
| #define | AFLOWRC_DEFAULT_AEL_FILE_PREFIX std::string("aflow.ael.") |
| #define | DEFAULT_AEL_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_AEL_FILE_PREFIX") |
| #define | AFLOWRC_DEFAULT_AEL_WRITE_FULL_RESULTS false |
| #define | DEFAULT_AEL_WRITE_FULL_RESULTS XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_WRITE_FULL_RESULTS") |
| #define | AFLOWRC_DEFAULT_AEL_DIRNAME_ARUN true |
| #define | DEFAULT_AEL_DIRNAME_ARUN XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_DIRNAME_ARUN") |
| #define | AFLOWRC_DEFAULT_AGL_AEL_POISSON_RATIO true |
| #define | DEFAULT_AGL_AEL_POISSON_RATIO XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_AEL_POISSON_RATIO") |
| #define | AFLOWRC_DEFAULT_AGL_NSTRUCTURES 28 |
| #define | DEFAULT_AGL_NSTRUCTURES XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_NSTRUCTURES") |
| #define | AFLOWRC_DEFAULT_AGL_STRAIN_STEP 0.01 |
| #define | DEFAULT_AGL_STRAIN_STEP XHOST.adefault.getattachedutype<double>("DEFAULT_AGL_STRAIN_STEP") |
| #define | AFLOWRC_DEFAULT_AGL_AUTOSKIP_FAILED_ARUNS false |
| #define | DEFAULT_AGL_AUTOSKIP_FAILED_ARUNS XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_AUTOSKIP_FAILED_ARUNS") |
| #define | AFLOWRC_DEFAULT_AGL_SKIP_ARUNS_MAX 7 |
| #define | DEFAULT_AGL_SKIP_ARUNS_MAX XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_SKIP_ARUNS_MAX") |
| #define | AFLOWRC_DEFAULT_AGL_NTEMPERATURE 201 |
| #define | DEFAULT_AGL_NTEMPERATURE XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_NTEMPERATURE") |
| #define | AFLOWRC_DEFAULT_AGL_STEMPERATURE 10.0 |
| #define | DEFAULT_AGL_STEMPERATURE XHOST.adefault.getattachedutype<double>("DEFAULT_AGL_STEMPERATURE") |
| #define | AFLOWRC_DEFAULT_AGL_NPRESSURE 101 |
| #define | DEFAULT_AGL_NPRESSURE XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_NPRESSURE") |
| #define | AFLOWRC_DEFAULT_AGL_SPRESSURE 1.0 |
| #define | DEFAULT_AGL_SPRESSURE XHOST.adefault.getattachedutype<double>("DEFAULT_AGL_SPRESSURE") |
| #define | AFLOWRC_DEFAULT_AGL_POISSON_RATIO 0.25 |
| #define | DEFAULT_AGL_POISSON_RATIO XHOST.adefault.getattachedutype<double>("DEFAULT_AGL_POISSON_RATIO") |
| #define | AFLOWRC_DEFAULT_AGL_IEOS 0 |
| #define | DEFAULT_AGL_IEOS XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_IEOS") |
| #define | AFLOWRC_DEFAULT_AGL_IDEBYE 0 |
| #define | DEFAULT_AGL_IDEBYE XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_IDEBYE") |
| #define | AFLOWRC_DEFAULT_AGL_FIT_TYPE 0 |
| #define | DEFAULT_AGL_FIT_TYPE XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_FIT_TYPE") |
| #define | AFLOWRC_DEFAULT_AGL_CHECK_EV_CONCAVITY false |
| #define | DEFAULT_AGL_CHECK_EV_CONCAVITY XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_CHECK_EV_CONCAVITY") |
| #define | AFLOWRC_DEFAULT_AGL_CHECK_EV_MIN false |
| #define | DEFAULT_AGL_CHECK_EV_MIN XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_CHECK_EV_MIN") |
| #define | AFLOWRC_DEFAULT_AGL_HUGONIOT_CALC true |
| #define | DEFAULT_AGL_HUGONIOT_CALC XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_HUGONIOT_CALC") |
| #define | AFLOWRC_DEFAULT_AGL_HUGONIOT_EXTRAPOLATE false |
| #define | DEFAULT_AGL_HUGONIOT_EXTRAPOLATE XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_HUGONIOT_EXTRAPOLATE") |
| #define | AFLOWRC_DEFAULT_AGL_RUN_ALL_PRESSURE_TEMPERATURE false |
| #define | DEFAULT_AGL_RUN_ALL_PRESSURE_TEMPERATURE XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_RUN_ALL_PRESSURE_TEMPERATURE") |
| #define | AFLOWRC_DEFAULT_AGL_FILE_PREFIX std::string("aflow.agl.") |
| #define | DEFAULT_AGL_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_AGL_FILE_PREFIX") |
| #define | AFLOWRC_DEFAULT_AGL_WRITE_FULL_RESULTS false |
| #define | DEFAULT_AGL_WRITE_FULL_RESULTS XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_WRITE_FULL_RESULTS") |
| #define | AFLOWRC_DEFAULT_AGL_DIRNAME_ARUN true |
| #define | DEFAULT_AGL_DIRNAME_ARUN XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_DIRNAME_ARUN") |
| #define | AFLOWRC_DEFAULT_AGL_WRITE_GIBBS_INPUT false |
| #define | DEFAULT_AGL_WRITE_GIBBS_INPUT XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_WRITE_GIBBS_INPUT") |
| #define | AFLOWRC_DEFAULT_AGL_PLOT_RESULTS false |
| #define | DEFAULT_AGL_PLOT_RESULTS XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_PLOT_RESULTS") |
| #define | AFLOWRC_DEFAULT_QCA_MIN_SLEEP_SECONDS 60 |
| #define | DEFAULT_QCA_MIN_SLEEP_SECONDS XHOST.adefault.getattachedutype<int>("DEFAULT_QCA_MIN_SLEEP_SECONDS") |
| #define | AFLOWRC_DEFAULT_QCA_MAX_NUM_ATOMS 8 |
| #define | DEFAULT_QCA_MAX_NUM_ATOMS XHOST.adefault.getattachedutype<int>("DEFAULT_QCA_MAX_NUM_ATOMS") |
| #define | AFLOWRC_DEFAULT_QCA_AFLOW_MAX_NUM_ATOMS 4 |
| #define | DEFAULT_QCA_AFLOW_MAX_NUM_ATOMS XHOST.adefault.getattachedutype<int>("DEFAULT_QCA_AFLOW_MAX_NUM_ATOMS") |
| #define | AFLOWRC_DEFAULT_QCA_CV_CUTOFF 0.05 |
| #define | DEFAULT_QCA_CV_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_QCA_CV_CUTOFF") |
| #define | AFLOWRC_DEFAULT_QCA_CONC_NPTS 20 |
| #define | DEFAULT_QCA_CONC_NPTS XHOST.adefault.getattachedutype<double>("DEFAULT_QCA_CONC_NPTS") |
| #define | AFLOWRC_DEFAULT_QCA_TEMP_NPTS 150 |
| #define | DEFAULT_QCA_TEMP_NPTS XHOST.adefault.getattachedutype<double>("DEFAULT_QCA_TEMP_NPTS") |
| #define | AFLOWRC_DEFAULT_QCA_TEMP_MIN 300 |
| #define | DEFAULT_QCA_TEMP_MIN XHOST.adefault.getattachedutype<double>("DEFAULT_QCA_TEMP_MIN") |
| #define | AFLOWRC_DEFAULT_QCA_TEMP_MAX 5000 |
| #define | DEFAULT_QCA_TEMP_MAX XHOST.adefault.getattachedutype<double>("DEFAULT_QCA_TEMP_MAX") |
| #define | AFLOWRC_DEFAULT_QCA_TEMP_MIN_LIMIT 10000 |
| #define | DEFAULT_QCA_TEMP_MIN_LIMIT XHOST.adefault.getattachedutype<double>("DEFAULT_QCA_TEMP_MIN_LIMIT") |
| #define | AFLOWRC_DEFAULT_QCA_PRINT std::string("txt") |
| #define | DEFAULT_QCA_PRINT XHOST.adefault.getattachedscheme("DEFAULT_QCA_PRINT") |
| #define | AFLOWRC_DEFAULT_CCE_OX_METHOD 1 |
| #define | DEFAULT_CCE_OX_METHOD XHOST.adefault.getattachedutype<int>("DEFAULT_CCE_OX_METHOD") |
| #define | AFLOWRC_DEFAULT_CCE_NN_DIST_TOL_MULTI_ANION 0.4 |
| #define | DEFAULT_CCE_NN_DIST_TOL_MULTI_ANION XHOST.adefault.getattachedutype<double>("DEFAULT_CCE_NN_DIST_TOL_MULTI_ANION") |
| #define | AFLOWRC_DEFAULT_CCE_OX_TOL 0.001 |
| #define | DEFAULT_CCE_OX_TOL XHOST.adefault.getattachedutype<double>("DEFAULT_CCE_OX_TOL") |
| #define | AFLOWRC_DEFAULT_CCE_PEROX_CUTOFF 1.6 |
| #define | DEFAULT_CCE_PEROX_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_CCE_PEROX_CUTOFF") |
| #define | AFLOWRC_DEFAULT_CCE_SUPEROX_CUTOFF 1.4 |
| #define | DEFAULT_CCE_SUPEROX_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_CCE_SUPEROX_CUTOFF") |
| #define | AFLOWRC_DEFAULT_CCE_O2_MOLECULE_UPPER_CUTOFF 1.3 |
| #define | DEFAULT_CCE_O2_MOLECULE_UPPER_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_CCE_O2_MOLECULE_UPPER_CUTOFF") |
| #define | AFLOWRC_DEFAULT_CCE_O2_MOLECULE_LOWER_CUTOFF 1.2 |
| #define | DEFAULT_CCE_O2_MOLECULE_LOWER_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_CCE_O2_MOLECULE_LOWER_CUTOFF") |
| #define | AFLOWRC_DEFAULT_XTALFINDER_MISFIT_MATCH 0.1 |
| #define | DEFAULT_XTALFINDER_MISFIT_MATCH XHOST.adefault.getattachedutype<double>("DEFAULT_XTALFINDER_MISFIT_MATCH") |
| #define | AFLOWRC_DEFAULT_XTALFINDER_MISFIT_FAMILY 0.2 |
| #define | DEFAULT_XTALFINDER_MISFIT_FAMILY XHOST.adefault.getattachedutype<double>("DEFAULT_XTALFINDER_MISFIT_FAMILY") |
| #define | AFLOWRC_DEFAULT_XTALFINDER_SUPERCELL_METHOD false |
| #define | DEFAULT_XTALFINDER_SUPERCELL_METHOD XHOST.adefault.getattachedutype<bool>("DEFAULT_XTALFINDER_SUPERCELL_METHOD") |
| #define | AFLOWRC_DEFAULT_XTALFINDER_SAFE_ATOM_MATCH_SCALING 4.0 |
| #define | DEFAULT_XTALFINDER_SAFE_ATOM_MATCH_SCALING XHOST.adefault.getattachedutype<double>("DEFAULT_XTALFINDER_SAFE_ATOM_MATCH_SCALING") |
| #define | AFLOWRC_DEFAULT_XTALFINDER_FILE_MATERIAL std::string("material_comparison_output") |
| #define | DEFAULT_XTALFINDER_FILE_MATERIAL XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_MATERIAL") |
| #define | AFLOWRC_DEFAULT_XTALFINDER_FILE_STRUCTURE std::string("structure_comparison_output") |
| #define | DEFAULT_XTALFINDER_FILE_STRUCTURE XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_STRUCTURE") |
| #define | AFLOWRC_DEFAULT_XTALFINDER_FILE_DUPLICATE std::string("duplicate_compounds_output") |
| #define | DEFAULT_XTALFINDER_FILE_DUPLICATE XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_DUPLICATE") |
| #define | AFLOWRC_DEFAULT_XTALFINDER_FILE_MATERIAL_COMPARE2DATABASE std::string("material_comparison_compare2database_output") |
| #define | DEFAULT_XTALFINDER_FILE_MATERIAL_COMPARE2DATABASE XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_MATERIAL_COMPARE2DATABASE") |
| #define | AFLOWRC_DEFAULT_XTALFINDER_FILE_STRUCTURE_COMPARE2DATABASE std::string("structure_comparison_compare2database_output") |
| #define | DEFAULT_XTALFINDER_FILE_STRUCTURE_COMPARE2DATABASE XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_STRUCTURE_COMPARE2DATABASE") |
| #define | AFLOWRC_DEFAULT_XTALFINDER_FILE_MATERIAL_DATABASE std::string("material_comparison_database_output") |
| #define | DEFAULT_XTALFINDER_FILE_MATERIAL_DATABASE XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_MATERIAL_DATABASE") |
| #define | AFLOWRC_DEFAULT_XTALFINDER_FILE_STRUCTURE_DATABASE std::string("structure_comparison_database_output") |
| #define | DEFAULT_XTALFINDER_FILE_STRUCTURE_DATABASE XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_STRUCTURE_DATABASE") |
| #define | AFLOWRC_DEFAULT_ANRL_WYCKOFF_FRACTIONAL_TOL 1e-6 |
| #define | DEFAULT_ANRL_WYCKOFF_FRACTIONAL_TOL XHOST.adefault.getattachedutype<double>("DEFAULT_ANRL_WYCKOFF_FRACTIONAL_TOL") |
| #define | AFLOWRC_AFLOW_CORE_TEMPERATURE_BEEP 56.0 |
| #define | AFLOW_CORE_TEMPERATURE_BEEP XHOST.adefault.getattachedutype<double>("AFLOW_CORE_TEMPERATURE_BEEP") |
| #define | AFLOWRC_AFLOW_CORE_TEMPERATURE_HALT 65.0 |
| #define | AFLOW_CORE_TEMPERATURE_HALT XHOST.adefault.getattachedutype<double>("AFLOW_CORE_TEMPERATURE_HALT") |
| #define | AFLOWRC_AFLOW_CORE_TEMPERATURE_REFRESH 5.0 |
| #define | AFLOW_CORE_TEMPERATURE_REFRESH XHOST.adefault.getattachedutype<double>("AFLOW_CORE_TEMPERATURE_REFRESH") |
| #define | AFLOWRC_SECONDS_SLEEP_VASP_COMPLETION 15 |
| #define | SECONDS_SLEEP_VASP_COMPLETION XHOST.adefault.getattachedutype<double>("SECONDS_SLEEP_VASP_COMPLETION") |
| #define | AFLOWRC_SECONDS_SLEEP_VASP_MONITOR 60 |
| #define | SECONDS_SLEEP_VASP_MONITOR XHOST.adefault.getattachedutype<double>("SECONDS_SLEEP_VASP_MONITOR") |
| #define | AFLOWRC_SECONDS_STALE_OUTCAR 21600 |
| #define | SECONDS_STALE_OUTCAR XHOST.adefault.getattachedutype<double>("SECONDS_STALE_OUTCAR") |
| #define | AFLOWRC_BYTES_MAX_VASP_OUT 20000000000 |
| #define | BYTES_MAX_VASP_OUT XHOST.adefault.getattachedutype<unsigned long long int>("BYTES_MAX_VASP_OUT") |
| #define | AFLOWRC_MEMORY_MAX_USAGE_RAM 98 |
| #define | MEMORY_MAX_USAGE_RAM XHOST.adefault.getattachedutype<double>("MEMORY_MAX_USAGE_RAM") |
| #define | AFLOWRC_MEMORY_MAX_USAGE_SWAP 45 |
| #define | MEMORY_MAX_USAGE_SWAP XHOST.adefault.getattachedutype<double>("MEMORY_MAX_USAGE_SWAP") |
| #define | AFLOWRC_FILE_VASP_MONITOR std::string("monitor_vasp") |
| #define | FILE_VASP_MONITOR XHOST.adefault.getattachedscheme("FILE_VASP_MONITOR") |
| #define | AFLOWRC_INTEL_COMPILER_PATHS std::string("/opt/intel/bin/compilervars.sh,/opt/intel/bin/compilervars.csh,/app/intel/parallel_studio_xe_2020_update1/bin/compilervars.sh") |
| #define | INTEL_COMPILER_PATHS XHOST.adefault.getattachedscheme("INTEL_COMPILER_PATHS") |
| #define | AFLOWRC_MPI_OPTIONS_DUKE_BETA_MPICH std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_DUKE_BETA_MPICH XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_BETA_MPICH") |
| #define | AFLOWRC_MPI_COMMAND_DUKE_BETA_MPICH std::string("/usr/bin/mpiexec -np") |
| #define | MPI_COMMAND_DUKE_BETA_MPICH XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_BETA_MPICH") |
| #define | AFLOWRC_MPI_BINARY_DIR_DUKE_BETA_MPICH std::string("/usr/local/bin/") |
| #define | MPI_BINARY_DIR_DUKE_BETA_MPICH XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_BETA_MPICH") |
| #define | AFLOWRC_MPI_OPTIONS_DUKE_BETA_OPENMPI std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_DUKE_BETA_OPENMPI XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_BETA_OPENMPI") |
| #define | AFLOWRC_MPI_COMMAND_DUKE_BETA_OPENMPI std::string("/usr/bin/mpirun.openmpi -np") |
| #define | MPI_COMMAND_DUKE_BETA_OPENMPI XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_BETA_OPENMPI") |
| #define | AFLOWRC_MPI_BINARY_DIR_DUKE_BETA_OPENMPI std::string("/usr/local/bin/") |
| #define | MPI_BINARY_DIR_DUKE_BETA_OPENMPI XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_BETA_OPENMPI") |
| #define | AFLOWRC_MPI_OPTIONS_DUKE_MATERIALS std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_DUKE_MATERIALS XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_MATERIALS") |
| #define | AFLOWRC_MPI_COMMAND_DUKE_MATERIALS std::string("/usr/bin/mpiexec -np") |
| #define | MPI_COMMAND_DUKE_MATERIALS XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_MATERIALS") |
| #define | AFLOWRC_MPI_BINARY_DIR_DUKE_MATERIALS std::string("/usr/local/bin/") |
| #define | MPI_BINARY_DIR_DUKE_MATERIALS XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_MATERIALS") |
| #define | AFLOWRC_MPI_OPTIONS_DUKE_AFLOWLIB std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_DUKE_AFLOWLIB XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_AFLOWLIB") |
| #define | AFLOWRC_MPI_COMMAND_DUKE_AFLOWLIB std::string("/usr/bin/mpiexec -np") |
| #define | MPI_COMMAND_DUKE_AFLOWLIB XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_AFLOWLIB") |
| #define | AFLOWRC_MPI_BINARY_DIR_DUKE_AFLOWLIB std::string("/usr/local/bin/") |
| #define | MPI_BINARY_DIR_DUKE_AFLOWLIB XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_AFLOWLIB") |
| #define | AFLOWRC_MPI_OPTIONS_DUKE_HABANA std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_DUKE_HABANA XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_HABANA") |
| #define | AFLOWRC_MPI_COMMAND_DUKE_HABANA std::string("/usr/bin/mpiexec -np") |
| #define | MPI_COMMAND_DUKE_HABANA XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_HABANA") |
| #define | AFLOWRC_MPI_BINARY_DIR_DUKE_HABANA std::string("/usr/local/bin/") |
| #define | MPI_BINARY_DIR_DUKE_HABANA XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_HABANA") |
| #define | AFLOWRC_MPI_OPTIONS_DUKE_QRATS_MPICH std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_DUKE_QRATS_MPICH XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_QRATS_MPICH") |
| #define | AFLOWRC_MPI_COMMAND_DUKE_QRATS_MPICH std::string("/MAIN/bin/MPICH/bin/mpirun -np") |
| #define | MPI_COMMAND_DUKE_QRATS_MPICH XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_QRATS_MPICH") |
| #define | AFLOWRC_MPI_BINARY_DIR_DUKE_QRATS_MPICH std::string("/usr/local/bin/") |
| #define | MPI_BINARY_DIR_DUKE_QRATS_MPICH XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_QRATS_MPICH") |
| #define | AFLOWRC_MPI_OPTIONS_DUKE_QFLOW_OPENMPI std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_DUKE_QFLOW_OPENMPI XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_QFLOW_OPENMPI") |
| #define | AFLOWRC_MPI_COMMAND_DUKE_QFLOW_OPENMPI std::string("/home/bin/local/bin/mpirun -n") |
| #define | MPI_COMMAND_DUKE_QFLOW_OPENMPI XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_QFLOW_OPENMPI") |
| #define | AFLOWRC_MPI_BINARY_DIR_DUKE_QFLOW_OPENMPI std::string("/home/bin/") |
| #define | MPI_BINARY_DIR_DUKE_QFLOW_OPENMPI XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_QFLOW_OPENMPI") |
| #define | AFLOWRC_MPI_OPTIONS_DUKE_X_X std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_DUKE_X_X XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_X_X") |
| #define | AFLOWRC_MPI_COMMAND_DUKE_X_X std::string("srun --mpi=pmix --cpus-per-task") |
| #define | MPI_COMMAND_DUKE_X_X XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_X_X") |
| #define | AFLOWRC_MPI_BINARY_DIR_DUKE_X_X std::string("~/bin/x/") |
| #define | MPI_BINARY_DIR_DUKE_X_X XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_X_X") |
| #define | AFLOWRC_MPI_OPTIONS_DUKE_X_CRAY std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_DUKE_X_CRAY XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_X_CRAY") |
| #define | AFLOWRC_MPI_COMMAND_DUKE_X_CRAY std::string("srun --mpi=pmix --cpus-per-task") |
| #define | MPI_COMMAND_DUKE_X_CRAY XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_X_CRAY") |
| #define | AFLOWRC_MPI_BINARY_DIR_DUKE_X_CRAY std::string("~/bin/cray/") |
| #define | MPI_BINARY_DIR_DUKE_X_CRAY XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_X_CRAY") |
| #define | AFLOWRC_MPI_OPTIONS_DUKE_X_OLDCRAY std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_DUKE_X_OLDCRAY XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_X_OLDCRAY") |
| #define | AFLOWRC_MPI_COMMAND_DUKE_X_OLDCRAY std::string("srun --mpi=pmix --cpus-per-task") |
| #define | MPI_COMMAND_DUKE_X_OLDCRAY XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_X_OLDCRAY") |
| #define | AFLOWRC_MPI_BINARY_DIR_DUKE_X_OLDCRAY std::string("~/bin/oldcray/") |
| #define | MPI_BINARY_DIR_DUKE_X_OLDCRAY XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_X_OLDCRAY") |
| #define | AFLOWRC_MPI_OPTIONS_DUKE_X_SMB std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_DUKE_X_SMB XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_X_SMB") |
| #define | AFLOWRC_MPI_COMMAND_DUKE_X_SMB std::string("srun --mpi=pmix --cpus-per-task") |
| #define | MPI_COMMAND_DUKE_X_SMB XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_X_SMB") |
| #define | AFLOWRC_MPI_BINARY_DIR_DUKE_X_SMB std::string("~/bin/smb/") |
| #define | MPI_BINARY_DIR_DUKE_X_SMB XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_X_SMB") |
| #define | AFLOWRC_MPI_OPTIONS_JHU_ROCKFISH std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_JHU_ROCKFISH XHOST.adefault.getattachedscheme("MPI_OPTIONS_JHU_ROCKFISH") |
| #define | AFLOWRC_MPI_COMMAND_JHU_ROCKFISH std::string("mpirun -n") |
| #define | MPI_COMMAND_JHU_ROCKFISH XHOST.adefault.getattachedscheme("MPI_COMMAND_JHU_ROCKFISH") |
| #define | AFLOWRC_MPI_BINARY_DIR_JHU_ROCKFISH std::string("~/bin/") |
| #define | MPI_BINARY_DIR_JHU_ROCKFISH XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_JHU_ROCKFISH") |
| #define | AFLOWRC_MPI_OPTIONS_MACHINE001 std::string("") |
| #define | MPI_OPTIONS_MACHINE001 XHOST.adefault.getattachedscheme("MPI_OPTIONS_MACHINE001") |
| #define | AFLOWRC_MPI_COMMAND_MACHINE001 std::string("aprun -n") |
| #define | MPI_COMMAND_MACHINE001 XHOST.adefault.getattachedscheme("MPI_COMMAND_MACHINE001") |
| #define | AFLOWRC_MPI_BINARY_DIR_MACHINE001 std::string("~/bin/") |
| #define | MPI_BINARY_DIR_MACHINE001 XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MACHINE001") |
| #define | AFLOWRC_MPI_OPTIONS_MACHINE002 std::string("") |
| #define | MPI_OPTIONS_MACHINE002 XHOST.adefault.getattachedscheme("MPI_OPTIONS_MACHINE002") |
| #define | AFLOWRC_MPI_COMMAND_MACHINE002 std::string("mpirun -np") |
| #define | MPI_COMMAND_MACHINE002 XHOST.adefault.getattachedscheme("MPI_COMMAND_MACHINE002") |
| #define | AFLOWRC_MPI_BINARY_DIR_MACHINE002 std::string("~/bin/") |
| #define | MPI_BINARY_DIR_MACHINE002 XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MACHINE002") |
| #define | AFLOWRC_MPI_OPTIONS_MACHINE003 std::string("") |
| #define | MPI_OPTIONS_MACHINE003 XHOST.adefault.getattachedscheme("MPI_OPTIONS_MACHINE003") |
| #define | AFLOWRC_MPI_COMMAND_MACHINE003 std::string("mpiexec -n") |
| #define | MPI_COMMAND_MACHINE003 XHOST.adefault.getattachedscheme("MPI_COMMAND_MACHINE003") |
| #define | AFLOWRC_MPI_BINARY_DIR_MACHINE003 std::string("~/bin/") |
| #define | MPI_BINARY_DIR_MACHINE003 XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MACHINE003") |
| #define | AFLOWRC_MPI_OPTIONS_MACHINE004 std::string("") |
| #define | MPI_OPTIONS_MACHINE004 XHOST.adefault.getattachedscheme("MPI_OPTIONS_MACHINE004") |
| #define | AFLOWRC_MPI_COMMAND_MACHINE004 std::string("mpirun --mca pml ob1 --mca btl_ofi_mode 2 -np") |
| #define | MPI_COMMAND_MACHINE004 XHOST.adefault.getattachedscheme("MPI_COMMAND_MACHINE004") |
| #define | AFLOWRC_MPI_BINARY_DIR_MACHINE004 std::string("~/bin/") |
| #define | MPI_BINARY_DIR_MACHINE004 XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MACHINE004") |
| #define | AFLOWRC_MPI_OPTIONS_MPCDF_EOS std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_MPCDF_EOS XHOST.adefault.getattachedscheme("MPI_OPTIONS_MPCDF_EOS") |
| #define | AFLOWRC_MPI_COMMAND_MPCDF_EOS std::string("/usr/bin/srun -n") |
| #define | MPI_COMMAND_MPCDF_EOS XHOST.adefault.getattachedscheme("MPI_COMMAND_MPCDF_EOS") |
| #define | AFLOWRC_MPI_NCPUS_MPCDF_EOS 32 |
| #define | MPI_NCPUS_MPCDF_EOS XHOST.adefault.getattachedutype<int>("MPI_NCPUS_MPCDF_EOS") |
| #define | AFLOWRC_MPI_HYPERTHREADING_MPCDF_EOS std::string("NEGLECT") |
| #define | MPI_HYPERTHREADING_MPCDF_EOS XHOST.adefault.getattachedscheme("MPI_HYPERTHREADING_MPCDF_EOS") |
| #define | AFLOWRC_MPI_BINARY_DIR_MPCDF_EOS std::string("~/bin/") |
| #define | MPI_BINARY_DIR_MPCDF_EOS XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MPCDF_EOS") |
| #define | AFLOWRC_MPI_OPTIONS_MPCDF_DRACO std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_MPCDF_DRACO XHOST.adefault.getattachedscheme("MPI_OPTIONS_MPCDF_DRACO") |
| #define | AFLOWRC_MPI_COMMAND_MPCDF_DRACO std::string("/usr/bin/srun -n") |
| #define | MPI_COMMAND_MPCDF_DRACO XHOST.adefault.getattachedscheme("MPI_COMMAND_MPCDF_DRACO") |
| #define | AFLOWRC_MPI_NCPUS_MPCDF_DRACO 0 |
| #define | MPI_NCPUS_MPCDF_DRACO XHOST.adefault.getattachedutype<int>("MPI_NCPUS_MPCDF_DRACO") |
| #define | AFLOWRC_MPI_HYPERTHREADING_MPCDF_DRACO std::string("OFF") |
| #define | MPI_HYPERTHREADING_MPCDF_DRACO XHOST.adefault.getattachedscheme("MPI_HYPERTHREADING_MPCDF_DRACO") |
| #define | AFLOWRC_MPI_BINARY_DIR_MPCDF_DRACO std::string("~/bin/") |
| #define | MPI_BINARY_DIR_MPCDF_DRACO XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MPCDF_DRACO") |
| #define | AFLOWRC_MPI_OPTIONS_MPCDF_COBRA std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_MPCDF_COBRA XHOST.adefault.getattachedscheme("MPI_OPTIONS_MPCDF_COBRA") |
| #define | AFLOWRC_MPI_COMMAND_MPCDF_COBRA std::string("/usr/bin/srun -n") |
| #define | MPI_COMMAND_MPCDF_COBRA XHOST.adefault.getattachedscheme("MPI_COMMAND_MPCDF_COBRA") |
| #define | AFLOWRC_MPI_NCPUS_MPCDF_COBRA 0 |
| #define | MPI_NCPUS_MPCDF_COBRA XHOST.adefault.getattachedutype<int>("MPI_NCPUS_MPCDF_COBRA") |
| #define | AFLOWRC_MPI_HYPERTHREADING_MPCDF_COBRA std::string("OFF") |
| #define | MPI_HYPERTHREADING_MPCDF_COBRA XHOST.adefault.getattachedscheme("MPI_HYPERTHREADING_MPCDF_COBRA") |
| #define | AFLOWRC_MPI_BINARY_DIR_MPCDF_COBRA std::string("~/bin/") |
| #define | MPI_BINARY_DIR_MPCDF_COBRA XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MPCDF_COBRA") |
| #define | AFLOWRC_MPI_OPTIONS_MPCDF_HYDRA std::string("ulimit -s unlimited ") |
| #define | MPI_OPTIONS_MPCDF_HYDRA XHOST.adefault.getattachedscheme("MPI_OPTIONS_MPCDF_HYDRA") |
| #define | AFLOWRC_MPI_COMMAND_MPCDF_HYDRA std::string("poe ") |
| #define | MPI_COMMAND_MPCDF_HYDRA XHOST.adefault.getattachedscheme("MPI_COMMAND_MPCDF_HYDRA") |
| #define | AFLOWRC_MPI_NCPUS_MPCDF_HYDRA 0 |
| #define | MPI_NCPUS_MPCDF_HYDRA XHOST.adefault.getattachedutype<int>("MPI_NCPUS_MPCDF_HYDRA") |
| #define | AFLOWRC_MPI_HYPERTHREADING_MPCDF_HYDRA std::string("OFF") |
| #define | MPI_HYPERTHREADING_MPCDF_HYDRA XHOST.adefault.getattachedscheme("MPI_HYPERTHREADING_MPCDF_HYDRA") |
| #define | AFLOWRC_MPI_BINARY_DIR_MPCDF_HYDRA std::string("~/bin/") |
| #define | MPI_BINARY_DIR_MPCDF_HYDRA XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MPCDF_HYDRA") |
| #define | AFLOWRC_MPI_OPTIONS_FULTON_MARYLOU std::string("export OMP_NUM_THREADS=$SLURM_CPUS_ON_NODE") |
| #define | MPI_OPTIONS_FULTON_MARYLOU XHOST.adefault.getattachedscheme("MPI_OPTIONS_FULTON_MARYLOU") |
| #define | AFLOWRC_MPI_COMMAND_FULTON_MARYLOU std::string("srun ") |
| #define | MPI_COMMAND_FULTON_MARYLOU XHOST.adefault.getattachedscheme("MPI_COMMAND_FULTON_MARYLOU") |
| #define | AFLOWRC_MPI_BINARY_DIR_FULTON_MARYLOU std::string("/fslgroup/fslg_datamining/bin/") |
| #define | MPI_BINARY_DIR_FULTON_MARYLOU XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_FULTON_MARYLOU") |
| #define | AFLOWRC_MPI_OPTIONS_CMU_EULER std::string("") |
| #define | MPI_OPTIONS_CMU_EULER XHOST.adefault.getattachedscheme("MPI_OPTIONS_CMU_EULER") |
| #define | AFLOWRC_MPI_COMMAND_CMU_EULER std::string("mpirun -np") |
| #define | MPI_COMMAND_CMU_EULER XHOST.adefault.getattachedscheme("MPI_COMMAND_CMU_EULER") |
| #define | AFLOWRC_MPI_BINARY_DIR_CMU_EULER std::string("/home/Tools/bin/") |
| #define | MPI_BINARY_DIR_CMU_EULER XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_CMU_EULER") |
| #define | AFLOWRC_MPI_OPTIONS_MACHINE1 std::string("") |
| #define | MPI_OPTIONS_MACHINE1 XHOST.adefault.getattachedscheme("MPI_OPTIONS_MACHINE1") |
| #define | AFLOWRC_MPI_COMMAND_MACHINE1 std::string("...something ...") |
| #define | MPI_COMMAND_MACHINE1 XHOST.adefault.getattachedscheme("MPI_COMMAND_MACHINE1") |
| #define | AFLOWRC_MPI_BINARY_DIR_MACHINE1 std::string("/somewhere/") |
| #define | MPI_BINARY_DIR_MACHINE1 XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MACHINE1") |
| #define | AFLOWRC_MPI_OPTIONS_MACHINE2 std::string("") |
| #define | MPI_OPTIONS_MACHINE2 XHOST.adefault.getattachedscheme("MPI_OPTIONS_MACHINE2") |
| #define | AFLOWRC_MPI_COMMAND_MACHINE2 std::string("stub not used") |
| #define | MPI_COMMAND_MACHINE2 XHOST.adefault.getattachedscheme("MPI_COMMAND_MACHINE2") |
| #define | AFLOWRC_MPI_BINARY_DIR_MACHINE2 std::string("/home/aflow/bin/") |
| #define | MPI_BINARY_DIR_MACHINE2 XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MACHINE2") |
Functions | |
| bool | aflowrc::is_available (std::ostream &oss, bool AFLOWRC_VERBOSE) |
| bool | aflowrc::read (std::ostream &oss, bool AFLOWRC_VERBOSE) |
| bool | aflowrc::write_default (std::ostream &oss, bool AFLOWRC_VERBOSE) |
| bool | aflowrc::print_aflowrc (std::ostream &oss, bool AFLOWRC_VERBOSE) |
| #define AFLOWRC_FILENAME_LOCAL XHOST.home+"/.aflow.rc" |
Definition at line 18 of file aflow_aflowrc.h.
| #define AFLOWRC_FILENAME_GLOBAL "/etc/aflow.conf" |
Definition at line 19 of file aflow_aflowrc.h.
| #define AFLOWRC_AFLOWRC std::string(AFLOW_VERSION) |
Definition at line 22 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_KZIP_BIN std::string("xz") |
Definition at line 25 of file aflow_aflowrc.h.
| #define DEFAULT_KZIP_BIN XHOST.adefault.getattachedscheme("DEFAULT_KZIP_BIN") |
Definition at line 26 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_KZIP_EXT std::string(".xz") |
Definition at line 27 of file aflow_aflowrc.h.
| #define DEFAULT_KZIP_EXT XHOST.adefault.getattachedscheme("DEFAULT_KZIP_EXT") |
Definition at line 28 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_TMPFS_DIRECTORIES std::string("/tmp/,/run/shm/,/dev/shm/") |
Definition at line 29 of file aflow_aflowrc.h.
| #define DEFAULT_TMPFS_DIRECTORIES XHOST.adefault.getattachedscheme("DEFAULT_TMPFS_DIRECTORIES") |
Definition at line 30 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_ENTRY_LOADER_ALLOY_DB_FILE std::string("~/.aflow/aflowlib_alloy.db") |
Definition at line 35 of file aflow_aflowrc.h.
| #define DEFAULT_ENTRY_LOADER_ALLOY_DB_FILE XHOST.adefault.getattachedscheme("DEFAULT_ENTRY_LOADER_ALLOY_DB_FILE") |
Definition at line 36 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_ENTRY_LOADER_AFLUX_SERVER std::string("aflowlib.duke.edu") |
Definition at line 37 of file aflow_aflowrc.h.
| #define DEFAULT_ENTRY_LOADER_AFLUX_SERVER XHOST.adefault.getattachedscheme("DEFAULT_ENTRY_LOADER_AFLUX_SERVER") |
Definition at line 38 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_ENTRY_LOADER_AFLUX_PATH std::string("/API/aflux/") |
Definition at line 39 of file aflow_aflowrc.h.
| #define DEFAULT_ENTRY_LOADER_AFLUX_PATH XHOST.adefault.getattachedscheme("DEFAULT_ENTRY_LOADER_AFLUX_PATH") |
Definition at line 40 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_ENTRY_LOADER_RESTAPI_SERVER std::string("aflowlib.duke.edu") |
Definition at line 41 of file aflow_aflowrc.h.
| #define DEFAULT_ENTRY_LOADER_RESTAPI_SERVER XHOST.adefault.getattachedscheme("DEFAULT_ENTRY_LOADER_RESTAPI_SERVER") |
Definition at line 42 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_ENTRY_LOADER_RESTAPI_PATH std::string("/AFLOWDATA/") |
Definition at line 43 of file aflow_aflowrc.h.
| #define DEFAULT_ENTRY_LOADER_RESTAPI_PATH XHOST.adefault.getattachedscheme("DEFAULT_ENTRY_LOADER_RESTAPI_PATH") |
Definition at line 44 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_ENTRY_LOADER_FS_PATH std::string("/common/") |
Definition at line 45 of file aflow_aflowrc.h.
| #define DEFAULT_ENTRY_LOADER_FS_PATH XHOST.adefault.getattachedscheme("DEFAULT_ENTRY_LOADER_FS_PATH") |
Definition at line 46 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_DB_FILE std::string("/var/cache/aflow_data/AFLOWDB/aflowlib.db") |
Definition at line 51 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_DB_FILE XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_DB_FILE") |
Definition at line 52 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_DB_STATS_FILE std::string("/var/cache/aflow_data/AFLOWDB/aflowlib.json") |
Definition at line 53 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_DB_STATS_FILE XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_DB_STATS_FILE") |
Definition at line 54 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_DB_DATA_PATH std::string("/common/AFLOW/LIBS/") |
Definition at line 55 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_DB_DATA_PATH XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_DB_DATA_PATH") |
Definition at line 56 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_DB_LOCK_FILE std::string("/var/cache/aflow_data/AFLOWDB/ADB_Idle.lock") |
Definition at line 57 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_DB_LOCK_FILE XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_DB_LOCK_FILE") |
Definition at line 58 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_DB_STALE_THRESHOLD 3*3600 |
Definition at line 59 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_DB_STALE_THRESHOLD XHOST.adefault.getattachedutype<long int>("DEFAULT_AFLOW_DB_STALE_THRESHOLD") |
Definition at line 60 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_AFLOWLIB_ENTRY_OUT std::string("aflowlib.out") |
Definition at line 64 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_AFLOWLIB_ENTRY_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_AFLOWLIB_ENTRY_OUT") |
Definition at line 65 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_AFLOWLIB_ENTRY_JSON std::string("aflowlib.json") |
Definition at line 66 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_AFLOWLIB_ENTRY_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_AFLOWLIB_ENTRY_JSON") |
Definition at line 67 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_EDATA_ORIG_OUT std::string("edata.orig.out") |
Definition at line 68 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_EDATA_ORIG_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_EDATA_ORIG_OUT") |
Definition at line 69 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_EDATA_RELAX_OUT std::string("edata.relax.out") |
Definition at line 70 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_EDATA_RELAX_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_EDATA_RELAX_OUT") |
Definition at line 71 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_EDATA_BANDS_OUT std::string("edata.bands.out") |
Definition at line 72 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_EDATA_BANDS_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_EDATA_BANDS_OUT") |
Definition at line 73 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_DATA_ORIG_OUT std::string("data.orig.out") |
Definition at line 74 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_DATA_ORIG_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_DATA_ORIG_OUT") |
Definition at line 75 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_DATA_RELAX_OUT std::string("data.relax.out") |
Definition at line 76 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_DATA_RELAX_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_DATA_RELAX_OUT") |
Definition at line 77 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_DATA_BANDS_OUT std::string("data.bands.out") |
Definition at line 78 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_DATA_BANDS_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_DATA_BANDS_OUT") |
Definition at line 79 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_EDATA_ORIG_JSON std::string("edata.orig.json") |
Definition at line 80 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_EDATA_ORIG_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_EDATA_ORIG_JSON") |
Definition at line 81 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_EDATA_RELAX_JSON std::string("edata.relax.json") |
Definition at line 82 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_EDATA_RELAX_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_EDATA_RELAX_JSON") |
Definition at line 83 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_EDATA_BANDS_JSON std::string("edata.bands.json") |
Definition at line 84 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_EDATA_BANDS_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_EDATA_BANDS_JSON") |
Definition at line 85 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_DATA_ORIG_JSON std::string("data.orig.json") |
Definition at line 86 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_DATA_ORIG_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_DATA_ORIG_JSON") |
Definition at line 87 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_DATA_RELAX_JSON std::string("data.relax.json") |
Definition at line 88 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_DATA_RELAX_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_DATA_RELAX_JSON") |
Definition at line 89 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_DATA_BANDS_JSON std::string("data.bands.json") |
Definition at line 90 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_DATA_BANDS_JSON XHOST.adefault.getattachedscheme("DEFAULT_FILE_DATA_BANDS_JSON") |
Definition at line 91 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_TIME_OUT std::string("time") |
Definition at line 92 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_TIME_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_TIME_OUT") |
Definition at line 93 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_SPACEGROUP1_OUT std::string("SpaceGroup") |
Definition at line 94 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_SPACEGROUP1_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_SPACEGROUP1_OUT") |
Definition at line 95 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_SPACEGROUP2_OUT std::string("SpaceGroup2") |
Definition at line 96 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_SPACEGROUP2_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_SPACEGROUP2_OUT") |
Definition at line 97 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_VOLDISTPARAMS_OUT std::string("VOLDISTParams") |
Definition at line 98 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_VOLDISTPARAMS_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_VOLDISTPARAMS_OUT") |
Definition at line 99 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FILE_VOLDISTEVOLUTION_OUT std::string("VOLDISTEvolution") |
Definition at line 100 of file aflow_aflowrc.h.
| #define DEFAULT_FILE_VOLDISTEVOLUTION_OUT XHOST.adefault.getattachedscheme("DEFAULT_FILE_VOLDISTEVOLUTION_OUT") |
Definition at line 101 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PSEUDOPOTENTIAL_AUID_OUT std::string("aflow.pseudopotential_auid.out") |
Definition at line 104 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PSEUDOPOTENTIAL_AUID_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PSEUDOPOTENTIAL_AUID_OUT") |
Definition at line 105 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PRESCRIPT_OUT std::string("aflow.prescript.out") |
Definition at line 106 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PRESCRIPT_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PRESCRIPT_OUT") |
Definition at line 107 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PRESCRIPT_COMMAND std::string("aflow.prescript.command") |
Definition at line 108 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PRESCRIPT_COMMAND XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PRESCRIPT_COMMAND") |
Definition at line 109 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_POSTSCRIPT_OUT std::string("aflow.postscript.out") |
Definition at line 110 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_POSTSCRIPT_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_POSTSCRIPT_OUT") |
Definition at line 111 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_POSTSCRIPT_COMMAND std::string("aflow.postscript.command") |
Definition at line 112 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_POSTSCRIPT_COMMAND XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_POSTSCRIPT_COMMAND") |
Definition at line 113 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PGROUP_OUT std::string("aflow.pgroup.out") |
Definition at line 114 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PGROUP_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUP_OUT") |
Definition at line 115 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PGROUP_JSON std::string("aflow.pgroup.json") |
Definition at line 116 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PGROUP_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUP_JSON") |
Definition at line 117 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PGROUP_XTAL_OUT std::string("aflow.pgroup_xtal.out") |
Definition at line 118 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PGROUP_XTAL_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUP_XTAL_OUT") |
Definition at line 119 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PGROUP_XTAL_JSON std::string("aflow.pgroup_xtal.json") |
Definition at line 120 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PGROUP_XTAL_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUP_XTAL_JSON") |
Definition at line 121 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PGROUPK_PATTERSON_OUT std::string("aflow.pgroupk_Patterson.out") |
Definition at line 122 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PGROUPK_PATTERSON_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUPK_PATTERSON_OUT") |
Definition at line 123 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PGROUPK_PATTERSON_JSON std::string("aflow.pgroupk_Patterson.json") |
Definition at line 124 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PGROUPK_PATTERSON_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUPK_PATTERSON_JSON") |
Definition at line 125 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PGROUPK_OUT std::string("aflow.pgroupk.out") |
Definition at line 126 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PGROUPK_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUPK_OUT") |
Definition at line 127 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PGROUPK_JSON std::string("aflow.pgroupk.json") |
Definition at line 128 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PGROUPK_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUPK_JSON") |
Definition at line 129 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PGROUPK_XTAL_OUT std::string("aflow.pgroupk_xtal.out") |
Definition at line 130 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PGROUPK_XTAL_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUPK_XTAL_OUT") |
Definition at line 131 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PGROUPK_XTAL_JSON std::string("aflow.pgroupk_xtal.json") |
Definition at line 132 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PGROUPK_XTAL_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PGROUPK_XTAL_JSON") |
Definition at line 133 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_FGROUP_OUT std::string("aflow.fgroup.out") |
Definition at line 134 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_FGROUP_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_FGROUP_OUT") |
Definition at line 135 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_FGROUP_JSON std::string("aflow.fgroup.json") |
Definition at line 136 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_FGROUP_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_FGROUP_JSON") |
Definition at line 137 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_SGROUP_OUT std::string("aflow.sgroup.out") |
Definition at line 138 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_SGROUP_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_SGROUP_OUT") |
Definition at line 139 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_SGROUP_JSON std::string("aflow.sgroup.json") |
Definition at line 140 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_SGROUP_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_SGROUP_JSON") |
Definition at line 141 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_AGROUP_OUT std::string("aflow.agroup.out") |
Definition at line 142 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_AGROUP_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_AGROUP_OUT") |
Definition at line 143 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_AGROUP_JSON std::string("aflow.agroup.json") |
Definition at line 144 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_AGROUP_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_AGROUP_JSON") |
Definition at line 145 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_IATOMS_OUT std::string("aflow.iatoms.out") |
Definition at line 146 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_IATOMS_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_IATOMS_OUT") |
Definition at line 147 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_IATOMS_JSON std::string("aflow.iatoms.json") |
Definition at line 148 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_IATOMS_JSON XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_IATOMS_JSON") |
Definition at line 149 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_ICAGES_OUT std::string("aflow.icages.out") |
Definition at line 150 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_ICAGES_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_ICAGES_OUT") |
Definition at line 151 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_SURFACE_OUT std::string("aflow.surface.out") |
Definition at line 152 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_SURFACE_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_SURFACE_OUT") |
Definition at line 153 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_QMVASP_OUT std::string("aflow.qmvasp.out") |
Definition at line 154 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_QMVASP_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_QMVASP_OUT") |
Definition at line 155 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_ERVASP_OUT std::string("aflow.error.out") |
Definition at line 156 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_ERVASP_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_ERVASP_OUT") |
Definition at line 157 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_IMMISCIBILITY_OUT std::string("aflow.immiscibility.out") |
Definition at line 158 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_IMMISCIBILITY_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_IMMISCIBILITY_OUT") |
Definition at line 159 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_MEMORY_OUT std::string("aflow.memory.out") |
Definition at line 160 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_MEMORY_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_MEMORY_OUT") |
Definition at line 161 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_FROZSL_INPUT_OUT std::string("aflow.frozsl_input.out") |
Definition at line 162 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_FROZSL_INPUT_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_FROZSL_INPUT_OUT") |
Definition at line 163 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_FROZSL_POSCAR_OUT std::string("aflow.frozsl_poscar.out") |
Definition at line 164 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_FROZSL_POSCAR_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_FROZSL_POSCAR_OUT") |
Definition at line 165 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_FROZSL_MODES_OUT std::string("aflow.frozsl_energies.out") |
Definition at line 166 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_FROZSL_MODES_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_FROZSL_MODES_OUT") |
Definition at line 167 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_FROZSL_EIGEN_OUT std::string("aflow.frozsl_eigen.out") |
Definition at line 168 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_FROZSL_EIGEN_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_FROZSL_EIGEN_OUT") |
Definition at line 169 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_END_OUT std::string("aflow.end.out") |
Definition at line 170 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_END_OUT XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_END_OUT") |
Definition at line 171 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PLASMONICS_FILE std::string("aflow.plasmonics_eps") |
Definition at line 172 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PLASMONICS_FILE XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PLASMONICS_FILE") |
Definition at line 173 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_START_DEFAULT std::string("") |
Definition at line 176 of file aflow_aflowrc.h.
| #define MPI_START_DEFAULT XHOST.adefault.getattachedscheme("MPI_START_DEFAULT") |
Definition at line 177 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_STOP_DEFAULT std::string("") |
Definition at line 178 of file aflow_aflowrc.h.
| #define MPI_STOP_DEFAULT XHOST.adefault.getattachedscheme("MPI_STOP_DEFAULT") |
Definition at line 179 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_DEFAULT std::string("mpirun -np") |
Definition at line 180 of file aflow_aflowrc.h.
| #define MPI_COMMAND_DEFAULT XHOST.adefault.getattachedscheme("MPI_COMMAND_DEFAULT") |
Definition at line 181 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_NCPUS_DEFAULT 4 |
Definition at line 182 of file aflow_aflowrc.h.
| #define MPI_NCPUS_DEFAULT XHOST.adefault.getattachedutype<int>("MPI_NCPUS_DEFAULT") |
Definition at line 183 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_NCPUS_MAX init::GetCPUCores() |
Definition at line 184 of file aflow_aflowrc.h.
| #define MPI_NCPUS_MAX XHOST.adefault.getattachedutype<int>("MPI_NCPUS_MAX") |
Definition at line 185 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_GAMMA_BIN std::string("vasp_gam") |
Definition at line 188 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_GAMMA_BIN XHOST.adefault.getattachedscheme("DEFAULT_VASP_GAMMA_BIN") |
Definition at line 189 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_GAMMA_MPI_BIN std::string("vasp_gam") |
Definition at line 190 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_GAMMA_MPI_BIN XHOST.adefault.getattachedscheme("DEFAULT_VASP_GAMMA_MPI_BIN") |
Definition at line 191 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_BIN std::string("vasp_std") |
Definition at line 192 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_BIN XHOST.adefault.getattachedscheme("DEFAULT_VASP_BIN") |
Definition at line 193 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_MPI_BIN std::string("vasp_std") |
Definition at line 194 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_MPI_BIN XHOST.adefault.getattachedscheme("DEFAULT_VASP_MPI_BIN") |
Definition at line 195 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP5_BIN std::string("vasp_std") |
Definition at line 196 of file aflow_aflowrc.h.
| #define DEFAULT_VASP5_BIN XHOST.adefault.getattachedscheme("DEFAULT_VASP5_BIN") |
Definition at line 197 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP5_MPI_BIN std::string("vasp_std") |
Definition at line 198 of file aflow_aflowrc.h.
| #define DEFAULT_VASP5_MPI_BIN XHOST.adefault.getattachedscheme("DEFAULT_VASP5_MPI_BIN") |
Definition at line 199 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AIMS_BIN std::string("aims") |
Definition at line 201 of file aflow_aflowrc.h.
| #define DEFAULT_AIMS_BIN XHOST.adefault.getattachedscheme("DEFAULT_AIMS_BIN") |
Definition at line 202 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_DIRECTORIES std::string("/common/VASP,/common/AFLOW/VASP,/home/aflow/common/AFLOW/VASP,/fslhome/fslcollab8/group/VASP,/fslhome/glh43/src/,/share/home/00470/tg457283/common/AFLOW/VASP/,/share/home/00457/tg457357/common/AFLOW/VASP/,/home/mehl/bin/AFLOW/VASP/,~/common/VASP/,~/common/AFLOW/VASP/,/home/aflow/common/VASP/,/nics/a/proj/aflow/common/AFLOW/VASP/,/home/users/aflow/common/VASP,/share/apps/AFLOW3/VASP,/share/apps/vasp/PP,/projects/kyang-group/common/VASP,/home/Tools/src/vasp/,/somewhere/") |
Definition at line 205 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_DIRECTORIES XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIRECTORIES") |
Definition at line 206 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_DATE std::string("current") |
Definition at line 207 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_DATE XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DATE") |
Definition at line 208 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_SUFFIX std::string("/POTCAR") |
Definition at line 209 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_SUFFIX XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_SUFFIX") |
Definition at line 210 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_DATE_POT_LDA std::string("01Apr2000") |
Definition at line 211 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_DATE_POT_LDA XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DATE_POT_LDA") |
Definition at line 212 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_DATE_POT_GGA std::string("01Apr2000") |
Definition at line 213 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_DATE_POT_GGA XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DATE_POT_GGA") |
Definition at line 214 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POT_LDA std::string("pot_LDA") |
Definition at line 215 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_DIR_POT_LDA XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POT_LDA") |
Definition at line 216 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POT_GGA std::string("pot_GGA") |
Definition at line 217 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_DIR_POT_GGA XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POT_GGA") |
Definition at line 218 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POT_PBE std::string("pot_PBE") |
Definition at line 219 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_DIR_POT_PBE XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POT_PBE") |
Definition at line 220 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POTPAW_LDA std::string("potpaw_LDA") |
Definition at line 221 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_DIR_POTPAW_LDA XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POTPAW_LDA") |
Definition at line 222 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POTPAW_GGA std::string("potpaw_GGA") |
Definition at line 223 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_DIR_POTPAW_GGA XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POTPAW_GGA") |
Definition at line 224 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POTPAW_PBE std::string("potpaw_PBE") |
Definition at line 225 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_DIR_POTPAW_PBE XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POTPAW_PBE") |
Definition at line 226 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POTPAW_LDA_KIN std::string("potpaw_LDA.54") |
Definition at line 227 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_DIR_POTPAW_LDA_KIN XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POTPAW_LDA_KIN") |
Definition at line 228 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_POTCAR_DIR_POTPAW_PBE_KIN std::string("potpaw_PBE.54") |
Definition at line 229 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_POTCAR_DIR_POTPAW_PBE_KIN XHOST.adefault.getattachedscheme("DEFAULT_VASP_POTCAR_DIR_POTPAW_PBE_KIN") |
Definition at line 230 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_BANDS_GRID 20 |
Definition at line 233 of file aflow_aflowrc.h.
| #define DEFAULT_BANDS_GRID XHOST.adefault.getattachedutype<int>("DEFAULT_BANDS_GRID") |
Definition at line 234 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_BANDS_LATTICE std::string("AUTO") |
Definition at line 235 of file aflow_aflowrc.h.
| #define DEFAULT_BANDS_LATTICE XHOST.adefault.getattachedscheme("DEFAULT_BANDS_LATTICE") |
Definition at line 236 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_KSCHEME std::string("AUTO") |
Definition at line 237 of file aflow_aflowrc.h.
| #define DEFAULT_KSCHEME XHOST.adefault.getattachedscheme("DEFAULT_KSCHEME") |
Definition at line 238 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_KPPRA 6000 |
Definition at line 239 of file aflow_aflowrc.h.
| #define DEFAULT_KPPRA XHOST.adefault.getattachedutype<int>("DEFAULT_KPPRA") |
Definition at line 240 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_KPPRA_STATIC 10000 |
Definition at line 241 of file aflow_aflowrc.h.
| #define DEFAULT_KPPRA_STATIC XHOST.adefault.getattachedutype<int>("DEFAULT_KPPRA_STATIC") |
Definition at line 242 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_STATIC_KSCHEME std::string("AUTO") |
Definition at line 243 of file aflow_aflowrc.h.
| #define DEFAULT_STATIC_KSCHEME XHOST.adefault.getattachedscheme("DEFAULT_STATIC_KSCHEME") |
Definition at line 244 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_KPPRA_DIELECTRIC 12500 |
Definition at line 245 of file aflow_aflowrc.h.
| #define DEFAULT_KPPRA_DIELECTRIC XHOST.adefault.getattachedutype<int>("DEFAULT_KPPRA_DIELECTRIC") |
Definition at line 246 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_DIELECTRIC_KSCHEME std::string("AUTO") |
Definition at line 247 of file aflow_aflowrc.h.
| #define DEFAULT_DIELECTRIC_KSCHEME XHOST.adefault.getattachedscheme("DEFAULT_DIELECTRIC_KSCHEME") |
Definition at line 248 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_KPPRA_ICSD 8000 |
Definition at line 249 of file aflow_aflowrc.h.
| #define DEFAULT_KPPRA_ICSD XHOST.adefault.getattachedutype<int>("DEFAULT_KPPRA_ICSD") |
Definition at line 250 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_UNARY_BANDS_GRID 128 |
Definition at line 251 of file aflow_aflowrc.h.
| #define DEFAULT_UNARY_BANDS_GRID XHOST.adefault.getattachedutype<int>("DEFAULT_UNARY_BANDS_GRID") |
Definition at line 252 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_UNARY_KPPRA 8000 |
Definition at line 253 of file aflow_aflowrc.h.
| #define DEFAULT_UNARY_KPPRA XHOST.adefault.getattachedutype<int>("DEFAULT_UNARY_KPPRA") |
Definition at line 254 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_UNARY_KPPRA_STATIC 8000 |
Definition at line 255 of file aflow_aflowrc.h.
| #define DEFAULT_UNARY_KPPRA_STATIC XHOST.adefault.getattachedutype<int>("DEFAULT_UNARY_KPPRA_STATIC") |
Definition at line 256 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_UNARY_KPPRA_DIELECTRIC 8000 |
Definition at line 257 of file aflow_aflowrc.h.
| #define DEFAULT_UNARY_KPPRA_DIELECTRIC XHOST.adefault.getattachedutype<int>("DEFAULT_UNARY_KPPRA_DIELECTRIC") |
Definition at line 258 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_PHONONS_KSCHEME std::string("G") |
Definition at line 259 of file aflow_aflowrc.h.
| #define DEFAULT_PHONONS_KSCHEME XHOST.adefault.getattachedscheme("DEFAULT_PHONONS_KSCHEME") |
Definition at line 260 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_PHONONS_KPPRA 3000 |
Definition at line 261 of file aflow_aflowrc.h.
| #define DEFAULT_PHONONS_KPPRA XHOST.adefault.getattachedutype<int>("DEFAULT_PHONONS_KPPRA") |
Definition at line 262 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_DOS_EMIN -10.0 |
Definition at line 263 of file aflow_aflowrc.h.
| #define DEFAULT_DOS_EMIN XHOST.adefault.getattachedutype<double>("DEFAULT_DOS_EMIN") |
Definition at line 264 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_DOS_EMAX 10.0 |
Definition at line 265 of file aflow_aflowrc.h.
| #define DEFAULT_DOS_EMAX XHOST.adefault.getattachedutype<double>("DEFAULT_DOS_EMAX") |
Definition at line 266 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_DOS_SCALE 1.2 |
Definition at line 267 of file aflow_aflowrc.h.
| #define DEFAULT_DOS_SCALE XHOST.adefault.getattachedutype<double>("DEFAULT_DOS_SCALE") |
Definition at line 268 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_PREC_ENMAX_LOW 1.0 |
Definition at line 271 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_PREC_ENMAX_LOW XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_ENMAX_LOW") |
Definition at line 272 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_PREC_ENMAX_MEDIUM 1.3 |
Definition at line 273 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_PREC_ENMAX_MEDIUM XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_ENMAX_MEDIUM") |
Definition at line 274 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_PREC_ENMAX_NORMAL 1.3 |
Definition at line 275 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_PREC_ENMAX_NORMAL XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_ENMAX_NORMAL") |
Definition at line 276 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_PREC_ENMAX_HIGH 1.4 |
Definition at line 277 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_PREC_ENMAX_HIGH XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_ENMAX_HIGH") |
Definition at line 278 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_PREC_ENMAX_ACCURATE 1.4 |
Definition at line 279 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_PREC_ENMAX_ACCURATE XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_ENMAX_ACCURATE") |
Definition at line 280 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_ENMAX_MINIMUM 0.25 |
Definition at line 281 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_ENMAX_MINIMUM XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_ENMAX_MINIMUM") |
Definition at line 282 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_SPIN_REMOVE_CUTOFF 0.05 |
Definition at line 283 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_SPIN_REMOVE_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_SPIN_REMOVE_CUTOFF") |
Definition at line 284 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_PREC_POTIM 0.5 |
Definition at line 285 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_PREC_POTIM XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_POTIM") |
Definition at line 286 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_PREC_EDIFFG -1E-3 |
Definition at line 287 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_PREC_EDIFFG XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_PREC_EDIFFG") |
Definition at line 288 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_OUT std::string("vasp.out") |
Definition at line 291 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_OUT XHOST.adefault.getattachedscheme("DEFAULT_VASP_OUT") |
Definition at line 292 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_EXTERNAL_INCAR std::string("./INCAR") |
Definition at line 293 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_EXTERNAL_INCAR XHOST.adefault.getattachedscheme("DEFAULT_VASP_EXTERNAL_INCAR") |
Definition at line 294 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_EXTERNAL_POSCAR std::string("./POSCAR") |
Definition at line 295 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_EXTERNAL_POSCAR XHOST.adefault.getattachedscheme("DEFAULT_VASP_EXTERNAL_POSCAR") |
Definition at line 296 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_EXTERNAL_POTCAR std::string("./POTCAR") |
Definition at line 297 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_EXTERNAL_POTCAR XHOST.adefault.getattachedscheme("DEFAULT_VASP_EXTERNAL_POTCAR") |
Definition at line 298 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_EXTERNAL_KPOINTS std::string("./KPOINTS") |
Definition at line 299 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_EXTERNAL_KPOINTS XHOST.adefault.getattachedscheme("DEFAULT_VASP_EXTERNAL_KPOINTS") |
Definition at line 300 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AIMS_EXTERNAL_CONTROL std::string("./control.in") |
Definition at line 301 of file aflow_aflowrc.h.
| #define DEFAULT_AIMS_EXTERNAL_CONTROL XHOST.adefault.getattachedscheme("DEFAULT_AIMS_EXTERNAL_CONTROL") |
Definition at line 302 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AIMS_EXTERNAL_GEOM std::string("./geometry.in") |
Definition at line 303 of file aflow_aflowrc.h.
| #define DEFAULT_AIMS_EXTERNAL_GEOM XHOST.adefault.getattachedscheme("DEFAULT_AIMS_EXTERNAL_GEOM") |
Definition at line 304 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_PSEUDOPOTENTIAL_TYPE std::string("potpaw_PBE") |
Definition at line 305 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_PSEUDOPOTENTIAL_TYPE XHOST.adefault.getattachedscheme("DEFAULT_VASP_PSEUDOPOTENTIAL_TYPE") |
Definition at line 306 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_RELAX_MODE_SCHEME std::string("ENERGY") |
Definition at line 307 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_RELAX_MODE_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_RELAX_MODE_SCHEME") |
Definition at line 308 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_RELAX_COUNT 2 |
Definition at line 309 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_RELAX_COUNT XHOST.adefault.getattachedutype<int>("DEFAULT_VASP_FORCE_OPTION_RELAX_COUNT") |
Definition at line 310 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_PREC_SCHEME std::string("ACCURATE") |
Definition at line 311 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_PREC_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_PREC_SCHEME") |
Definition at line 312 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_ALGO_SCHEME std::string("NORMAL") |
Definition at line 313 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_ALGO_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_ALGO_SCHEME") |
Definition at line 314 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_METAGGA_SCHEME std::string("NONE") |
Definition at line 315 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_METAGGA_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_METAGGA_SCHEME") |
Definition at line 316 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_IVDW_SCHEME std::string("0") |
Definition at line 317 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_IVDW_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_IVDW_SCHEME") |
Definition at line 318 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_TYPE_SCHEME std::string("DEFAULT") |
Definition at line 319 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_TYPE_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_TYPE_SCHEME") |
Definition at line 320 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_ISMEAR_SCHEME 1 |
Definition at line 321 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_ISMEAR_SCHEME XHOST.adefault.getattachedutype<int>("DEFAULT_VASP_FORCE_OPTION_ISMEAR_SCHEME") |
Definition at line 322 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_ISMEAR_STATIC_SCHEME -5 |
Definition at line 323 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_ISMEAR_STATIC_SCHEME XHOST.adefault.getattachedutype<int>("DEFAULT_VASP_FORCE_OPTION_ISMEAR_STATIC_SCHEME") |
Definition at line 324 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_ISMEAR_BANDS_SCHEME 0 |
Definition at line 325 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_ISMEAR_BANDS_SCHEME XHOST.adefault.getattachedutype<int>("DEFAULT_VASP_FORCE_OPTION_ISMEAR_BANDS_SCHEME") |
Definition at line 326 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SIGMA 0.1 |
Definition at line 327 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_SIGMA XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_FORCE_OPTION_SIGMA") |
Definition at line 328 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SIGMA_STATIC 0.05 |
Definition at line 329 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_SIGMA_STATIC XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_FORCE_OPTION_SIGMA_STATIC") |
Definition at line 330 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SIGMA_BANDS 0.05 |
Definition at line 331 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_SIGMA_BANDS XHOST.adefault.getattachedutype<double>("DEFAULT_VASP_FORCE_OPTION_SIGMA_BANDS") |
Definition at line 332 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_NELM 60 |
Definition at line 333 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_NELM XHOST.adefault.getattachedutype<int>("DEFAULT_VASP_FORCE_OPTION_NELM") |
Definition at line 334 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_NELM_STATIC 120 |
Definition at line 335 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_NELM_STATIC XHOST.adefault.getattachedutype<int>("DEFAULT_VASP_FORCE_OPTION_NELM_STATIC") |
Definition at line 336 of file aflow_aflowrc.h.
| #define AFLOWRC_MAX_VASP_NELM 300 |
Definition at line 337 of file aflow_aflowrc.h.
| #define MAX_VASP_NELM XHOST.adefault.getattachedutype<int>("MAX_VASP_NELM") |
Definition at line 338 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_ABMIX_SCHEME std::string("DEFAULT") |
Definition at line 339 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_ABMIX_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_VASP_FORCE_OPTION_ABMIX_SCHEME") |
Definition at line 340 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SYM true |
Definition at line 341 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_SYM XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_SYM") |
Definition at line 342 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SPIN true |
Definition at line 343 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_SPIN XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_SPIN") |
Definition at line 344 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_1 false |
Definition at line 345 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_1 XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_1") |
Definition at line 346 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_2 true |
Definition at line 347 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_2 XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_SPIN_REMOVE_RELAX_2") |
Definition at line 348 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_BADER false |
Definition at line 349 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_BADER XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_BADER") |
Definition at line 350 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_BADER_STATIC true |
Definition at line 351 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_BADER_STATIC XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_BADER_STATIC") |
Definition at line 352 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_ELF false |
Definition at line 353 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_ELF XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_ELF") |
Definition at line 354 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_AUTO_MAGMOM false |
Definition at line 355 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_AUTO_MAGMOM XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_AUTO_MAGMOM") |
Definition at line 356 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_WAVECAR false |
Definition at line 357 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_WAVECAR XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_WAVECAR") |
Definition at line 358 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_CHGCAR true |
Definition at line 359 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_CHGCAR XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_CHGCAR") |
Definition at line 360 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_VASP_FORCE_OPTION_LSCOUPLING false |
Definition at line 361 of file aflow_aflowrc.h.
| #define DEFAULT_VASP_FORCE_OPTION_LSCOUPLING XHOST.adefault.getattachedutype<bool>("DEFAULT_VASP_FORCE_OPTION_LSCOUPLING") |
Definition at line 362 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_LIBRARY_DIRECTORIES std::string("/common/AFLOW/LIBS/,/home/aflow/common/AFLOW/LIBS/,/fslhome/glh43/src/,/usr/local/bin/,/fslhome/fslcollab8/group/bin/,/home/auro/work/AFLOW3/,~/common/AFLOW/LIBS/,./,/nics/a/proj/aflow/common/AFLOW/LIBS/,/home/users/aflow/common/AFLOW/LIBS,/home/junkai/PROTO_DATABASE/,/projects/kyang-group/common/LIBS,/somewhere/") |
Definition at line 365 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_LIBRARY_DIRECTORIES XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_LIBRARY_DIRECTORIES") |
Definition at line 366 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOW_PROJECTS_DIRECTORIES std::string("/common/AUID,/common/ICSD,/common/LIB0,/common/LIB1,/common/LIB2,/common/LIB3,/common/LIB4,/common/LIB5,/common/LIB6,/common/LIB7,/common/LIB8,/common/LIB9") |
Definition at line 367 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOW_PROJECTS_DIRECTORIES XHOST.adefault.getattachedscheme("DEFAULT_AFLOW_PROJECTS_DIRECTORIES") |
Definition at line 368 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AFLOWDATA_WEB_DIRECTORY std::string("/www/AFLOWDATA") |
Definition at line 369 of file aflow_aflowrc.h.
| #define DEFAULT_AFLOWDATA_WEB_DIRECTORY XHOST.adefault.getattachedscheme("DEFAULT_AFLOWDATA_WEB_DIRECTORY") |
Definition at line 370 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_PLATON_P_EQUAL false |
Definition at line 373 of file aflow_aflowrc.h.
| #define DEFAULT_PLATON_P_EQUAL XHOST.adefault.getattachedutype<bool>("DEFAULT_PLATON_P_EQUAL") |
Definition at line 374 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_PLATON_P_EXACT false |
Definition at line 375 of file aflow_aflowrc.h.
| #define DEFAULT_PLATON_P_EXACT XHOST.adefault.getattachedutype<bool>("DEFAULT_PLATON_P_EXACT") |
Definition at line 376 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_PLATON_P_ANG 1.0 |
Definition at line 377 of file aflow_aflowrc.h.
| #define DEFAULT_PLATON_P_ANG XHOST.adefault.getattachedutype<double>("DEFAULT_PLATON_P_ANG") |
Definition at line 378 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_PLATON_P_D1 0.25 |
Definition at line 379 of file aflow_aflowrc.h.
| #define DEFAULT_PLATON_P_D1 XHOST.adefault.getattachedutype<double>("DEFAULT_PLATON_P_D1") |
Definition at line 380 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_PLATON_P_D2 0.25 |
Definition at line 381 of file aflow_aflowrc.h.
| #define DEFAULT_PLATON_P_D2 XHOST.adefault.getattachedutype<double>("DEFAULT_PLATON_P_D2") |
Definition at line 382 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_PLATON_P_D3 0.25 |
Definition at line 383 of file aflow_aflowrc.h.
| #define DEFAULT_PLATON_P_D3 XHOST.adefault.getattachedutype<double>("DEFAULT_PLATON_P_D3") |
Definition at line 384 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_FINDSYM_TOL 1.0e-3 |
Definition at line 385 of file aflow_aflowrc.h.
| #define DEFAULT_FINDSYM_TOL XHOST.adefault.getattachedutype<double>("DEFAULT_FINDSYM_TOL") |
Definition at line 386 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GNUPLOT_EPS_FONT std::string("Helvetica") |
Definition at line 389 of file aflow_aflowrc.h.
| #define DEFAULT_GNUPLOT_EPS_FONT XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_EPS_FONT") |
Definition at line 390 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GNUPLOT_EPS_FONT_BOLD std::string("Helvetica-Bold") |
Definition at line 391 of file aflow_aflowrc.h.
| #define DEFAULT_GNUPLOT_EPS_FONT_BOLD XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_EPS_FONT_BOLD") |
Definition at line 392 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GNUPLOT_EPS_FONT_ITALICS std::string("Helvetica-Oblique") |
Definition at line 393 of file aflow_aflowrc.h.
| #define DEFAULT_GNUPLOT_EPS_FONT_ITALICS XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_EPS_FONT_ITALICS") |
Definition at line 394 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GNUPLOT_EPS_FONT_BOLD_ITALICS std::string("Helvetica-BoldOblique") |
Definition at line 395 of file aflow_aflowrc.h.
| #define DEFAULT_GNUPLOT_EPS_FONT_BOLD_ITALICS XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_EPS_FONT_BOLD_ITALICS") |
Definition at line 396 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GNUPLOT_PNG_FONT std::string("Arial") |
Definition at line 397 of file aflow_aflowrc.h.
| #define DEFAULT_GNUPLOT_PNG_FONT XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_PNG_FONT") |
Definition at line 398 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GNUPLOT_PNG_FONT_BOLD std::string("Arial_Bold") |
Definition at line 399 of file aflow_aflowrc.h.
| #define DEFAULT_GNUPLOT_PNG_FONT_BOLD XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_PNG_FONT_BOLD") |
Definition at line 400 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GNUPLOT_PNG_FONT_ITALICS std::string("Arial_Italic") |
Definition at line 401 of file aflow_aflowrc.h.
| #define DEFAULT_GNUPLOT_PNG_FONT_ITALICS XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_PNG_FONT_ITALICS") |
Definition at line 402 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GNUPLOT_PNG_FONT_BOLD_ITALICS std::string("Arial_BoldItalic") |
Definition at line 403 of file aflow_aflowrc.h.
| #define DEFAULT_GNUPLOT_PNG_FONT_BOLD_ITALICS XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_PNG_FONT_BOLD_ITALICS") |
Definition at line 404 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GNUPLOT_GREEK_FONT std::string("Symbol") |
Definition at line 405 of file aflow_aflowrc.h.
| #define DEFAULT_GNUPLOT_GREEK_FONT XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_GREEK_FONT") |
Definition at line 406 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GNUPLOT_GREEK_FONT_BOLD std::string("Symbol-Bold") |
Definition at line 407 of file aflow_aflowrc.h.
| #define DEFAULT_GNUPLOT_GREEK_FONT_BOLD XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_GREEK_FONT_BOLD") |
Definition at line 408 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GNUPLOT_GREEK_FONT_ITALICS std::string("Symbol-Oblique") |
Definition at line 409 of file aflow_aflowrc.h.
| #define DEFAULT_GNUPLOT_GREEK_FONT_ITALICS XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_GREEK_FONT_ITALICS") |
Definition at line 410 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GNUPLOT_GREEK_FONT_BOLD_ITALICS std::string("Symbol-BoldOblique") |
Definition at line 411 of file aflow_aflowrc.h.
| #define DEFAULT_GNUPLOT_GREEK_FONT_BOLD_ITALICS XHOST.adefault.getattachedscheme("DEFAULT_GNUPLOT_GREEK_FONT_BOLD_ITALICS") |
Definition at line 412 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_ALLOWED_DFT_TYPES std::string("PAW_PBE,PAW_PBE_KIN") |
Definition at line 415 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_ALLOWED_DFT_TYPES XHOST.adefault.getattachedscheme("DEFAULT_CHULL_ALLOWED_DFT_TYPES") |
Definition at line 416 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_ALLOW_ALL_FORMATION_ENERGIES false |
Definition at line 417 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_ALLOW_ALL_FORMATION_ENERGIES XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_ALLOW_ALL_FORMATION_ENERGIES") |
Definition at line 418 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_COUNT_THRESHOLD_BINARIES 200 |
Definition at line 419 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_COUNT_THRESHOLD_BINARIES XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_COUNT_THRESHOLD_BINARIES") |
Definition at line 420 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_PERFORM_OUTLIER_ANALYSIS true |
Definition at line 421 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_PERFORM_OUTLIER_ANALYSIS XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_PERFORM_OUTLIER_ANALYSIS") |
Definition at line 422 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_OUTLIER_ANALYSIS_COUNT_THRESHOLD_BINARIES 75 |
Definition at line 423 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_OUTLIER_ANALYSIS_COUNT_THRESHOLD_BINARIES XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_OUTLIER_ANALYSIS_COUNT_THRESHOLD_BINARIES") |
Definition at line 424 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_OUTLIER_MULTIPLIER 3.25 |
Definition at line 425 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_OUTLIER_MULTIPLIER XHOST.adefault.getattachedutype<double>("DEFAULT_CHULL_OUTLIER_MULTIPLIER") |
Definition at line 426 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_IGNORE_KNOWN_ILL_CONVERGED true |
Definition at line 427 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_IGNORE_KNOWN_ILL_CONVERGED XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_IGNORE_KNOWN_ILL_CONVERGED") |
Definition at line 428 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_BANNER 2 |
Definition at line 429 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_BANNER XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_LATEX_BANNER") |
Definition at line 430 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_COMPOUNDS_COLUMN false |
Definition at line 431 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_COMPOUNDS_COLUMN XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_COMPOUNDS_COLUMN") |
Definition at line 432 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_STOICH_HEADER false |
Definition at line 433 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_STOICH_HEADER XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_STOICH_HEADER") |
Definition at line 434 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_PLOT_UNARIES false |
Definition at line 435 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_PLOT_UNARIES XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_PLOT_UNARIES") |
Definition at line 436 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_PLOT_OFF_HULL -1 |
Definition at line 437 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_PLOT_OFF_HULL XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_LATEX_PLOT_OFF_HULL") |
Definition at line 438 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_PLOT_UNSTABLE false |
Definition at line 439 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_PLOT_UNSTABLE XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_PLOT_UNSTABLE") |
Definition at line 440 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_FILTER_SCHEME std::string("") |
Definition at line 441 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_FILTER_SCHEME XHOST.adefault.getattachedscheme("DEFAULT_CHULL_LATEX_FILTER_SCHEME") |
Definition at line 442 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_FILTER_VALUE 0.0 |
Definition at line 443 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_FILTER_VALUE XHOST.adefault.getattachedutype<double>("DEFAULT_CHULL_LATEX_FILTER_VALUE") |
Definition at line 444 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_COLOR_BAR true |
Definition at line 445 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_COLOR_BAR XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_COLOR_BAR") |
Definition at line 446 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_HEAT_MAP true |
Definition at line 447 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_HEAT_MAP XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_HEAT_MAP") |
Definition at line 448 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_COLOR_GRADIENT true |
Definition at line 449 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_COLOR_GRADIENT XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_COLOR_GRADIENT") |
Definition at line 450 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_COLOR_MAP std::string("") |
Definition at line 451 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_COLOR_MAP XHOST.adefault.getattachedscheme("DEFAULT_CHULL_LATEX_COLOR_MAP") |
Definition at line 452 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_TERNARY_LABEL_COLOR std::string("") |
Definition at line 453 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_TERNARY_LABEL_COLOR XHOST.adefault.getattachedscheme("DEFAULT_CHULL_LATEX_TERNARY_LABEL_COLOR") |
Definition at line 454 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_REVERSE_AXIS false |
Definition at line 455 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_REVERSE_AXIS XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_REVERSE_AXIS") |
Definition at line 456 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_FACET_LINE_DROP_SHADOW false |
Definition at line 457 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_FACET_LINE_DROP_SHADOW XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_FACET_LINE_DROP_SHADOW") |
Definition at line 458 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_LINKS 1 |
Definition at line 459 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_LINKS XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_LATEX_LINKS") |
Definition at line 460 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_LABEL_NAME std::string("") |
Definition at line 461 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_LABEL_NAME XHOST.adefault.getattachedscheme("DEFAULT_CHULL_LATEX_LABEL_NAME") |
Definition at line 462 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_META_LABELS false |
Definition at line 463 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_META_LABELS XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_META_LABELS") |
Definition at line 464 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_LABELS_OFF_HULL false |
Definition at line 465 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_LABELS_OFF_HULL XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_LABELS_OFF_HULL") |
Definition at line 466 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_PLOT_REDUCED_COMPOSITION -1 |
Definition at line 467 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_PLOT_REDUCED_COMPOSITION XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_LATEX_PLOT_REDUCED_COMPOSITION") |
Definition at line 468 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_HELVETICA_FONT false |
Definition at line 469 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_HELVETICA_FONT XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_HELVETICA_FONT") |
Definition at line 470 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_FONT_SIZE std::string("") |
Definition at line 471 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_FONT_SIZE XHOST.adefault.getattachedscheme("DEFAULT_CHULL_LATEX_FONT_SIZE") |
Definition at line 472 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_ROTATE_LABELS true |
Definition at line 473 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_ROTATE_LABELS XHOST.adefault.getattachedutype<bool>("DEFAULT_CHULL_LATEX_ROTATE_LABELS") |
Definition at line 474 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_LATEX_BOLD_LABELS -1 |
Definition at line 475 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_LATEX_BOLD_LABELS XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_LATEX_BOLD_LABELS") |
Definition at line 476 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CHULL_PNG_RESOLUTION 300 |
Definition at line 477 of file aflow_aflowrc.h.
| #define DEFAULT_CHULL_PNG_RESOLUTION XHOST.adefault.getattachedutype<int>("DEFAULT_CHULL_PNG_RESOLUTION") |
Definition at line 478 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_GFA_FORMATION_ENTHALPY_CUTOFF 0.05 |
Definition at line 481 of file aflow_aflowrc.h.
| #define DEFAULT_GFA_FORMATION_ENTHALPY_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_GFA_FORMATION_ENTHALPY_CUTOFF") |
Definition at line 482 of file aflow_aflowrc.h.
| #define AFLOWRC_ARUN_DIRECTORY_PREFIX std::string("ARUN.") |
Definition at line 485 of file aflow_aflowrc.h.
| #define ARUN_DIRECTORY_PREFIX XHOST.adefault.getattachedscheme("ARUN_DIRECTORY_PREFIX") |
Definition at line 486 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_POCC_STRUCTURE_GENERATION_ALGO std::string("UFF") |
Definition at line 489 of file aflow_aflowrc.h.
| #define DEFAULT_POCC_STRUCTURE_GENERATION_ALGO XHOST.adefault.getattachedscheme("DEFAULT_POCC_STRUCTURE_GENERATION_ALGO") |
Definition at line 490 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_POCC_TEMPERATURE_STRING std::string("0:2400:300") |
Definition at line 491 of file aflow_aflowrc.h.
| #define DEFAULT_POCC_TEMPERATURE_STRING XHOST.adefault.getattachedscheme("DEFAULT_POCC_TEMPERATURE_STRING") |
Definition at line 492 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_POCC_EXCLUDE_UNSTABLE true |
Definition at line 493 of file aflow_aflowrc.h.
| #define DEFAULT_POCC_EXCLUDE_UNSTABLE XHOST.adefault.getattachedutype<bool>("DEFAULT_POCC_EXCLUDE_UNSTABLE") |
Definition at line 494 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_POCC_SITE_TOL 0.001 |
Definition at line 495 of file aflow_aflowrc.h.
| #define DEFAULT_POCC_SITE_TOL XHOST.adefault.getattachedutype<double>("DEFAULT_POCC_SITE_TOL") |
Definition at line 496 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_POCC_STOICH_TOL 0.001 |
Definition at line 497 of file aflow_aflowrc.h.
| #define DEFAULT_POCC_STOICH_TOL XHOST.adefault.getattachedutype<double>("DEFAULT_POCC_STOICH_TOL") |
Definition at line 498 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_UFF_BONDING_DISTANCE 0.5 |
Definition at line 499 of file aflow_aflowrc.h.
| #define DEFAULT_UFF_BONDING_DISTANCE XHOST.adefault.getattachedutype<double>("DEFAULT_UFF_BONDING_DISTANCE") |
Definition at line 500 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_UFF_ENERGY_TOLERANCE 1e-6 |
Definition at line 501 of file aflow_aflowrc.h.
| #define DEFAULT_UFF_ENERGY_TOLERANCE XHOST.adefault.getattachedutype<double>("DEFAULT_UFF_ENERGY_TOLERANCE") |
Definition at line 502 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_UFF_CLUSTER_RADIUS 10 |
Definition at line 503 of file aflow_aflowrc.h.
| #define DEFAULT_UFF_CLUSTER_RADIUS XHOST.adefault.getattachedutype<double>("DEFAULT_UFF_CLUSTER_RADIUS") |
Definition at line 504 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_POCC_RDF_RMAX 50 |
Definition at line 505 of file aflow_aflowrc.h.
| #define DEFAULT_POCC_RDF_RMAX XHOST.adefault.getattachedutype<double>("DEFAULT_POCC_RDF_RMAX") |
Definition at line 506 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_POCC_RDF_NBINS 50 |
Definition at line 507 of file aflow_aflowrc.h.
| #define DEFAULT_POCC_RDF_NBINS XHOST.adefault.getattachedutype<double>("DEFAULT_POCC_RDF_NBINS") |
Definition at line 508 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_POCC_PERFORM_ROBUST_STRUCTURE_COMPARISON false |
Definition at line 509 of file aflow_aflowrc.h.
| #define DEFAULT_POCC_PERFORM_ROBUST_STRUCTURE_COMPARISON XHOST.adefault.getattachedutype<bool>("DEFAULT_POCC_PERFORM_ROBUST_STRUCTURE_COMPARISON") |
Definition at line 510 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_POCC_WRITE_OUT_ALL_SUPERCELLS false |
Definition at line 511 of file aflow_aflowrc.h.
| #define DEFAULT_POCC_WRITE_OUT_ALL_SUPERCELLS XHOST.adefault.getattachedutype<bool>("DEFAULT_POCC_WRITE_OUT_ALL_SUPERCELLS") |
Definition at line 512 of file aflow_aflowrc.h.
| #define AFLOWRC_POCC_FILE_PREFIX std::string("aflow.pocc.") |
Definition at line 513 of file aflow_aflowrc.h.
| #define POCC_FILE_PREFIX XHOST.adefault.getattachedscheme("POCC_FILE_PREFIX") |
Definition at line 514 of file aflow_aflowrc.h.
| #define AFLOWRC_POCC_OUT_FILE std::string("out") |
Definition at line 515 of file aflow_aflowrc.h.
| #define POCC_OUT_FILE XHOST.adefault.getattachedscheme("POCC_OUT_FILE") |
Definition at line 516 of file aflow_aflowrc.h.
| #define AFLOWRC_POCC_APL_OUT_FILE std::string("apl.out") |
Definition at line 517 of file aflow_aflowrc.h.
| #define POCC_APL_OUT_FILE XHOST.adefault.getattachedscheme("POCC_APL_OUT_FILE") |
Definition at line 518 of file aflow_aflowrc.h.
| #define AFLOWRC_POCC_ALL_SUPERCELLS_FILE std::string("structures_all.out") |
Definition at line 519 of file aflow_aflowrc.h.
| #define POCC_ALL_SUPERCELLS_FILE XHOST.adefault.getattachedscheme("POCC_ALL_SUPERCELLS_FILE") |
Definition at line 520 of file aflow_aflowrc.h.
| #define AFLOWRC_POCC_UNIQUE_SUPERCELLS_FILE std::string("structures_unique.out") |
Definition at line 521 of file aflow_aflowrc.h.
| #define POCC_UNIQUE_SUPERCELLS_FILE XHOST.adefault.getattachedscheme("POCC_UNIQUE_SUPERCELLS_FILE") |
Definition at line 522 of file aflow_aflowrc.h.
| #define AFLOWRC_POCC_ALL_HNF_MATRICES_FILE std::string("hnf_matrices.out") |
Definition at line 523 of file aflow_aflowrc.h.
| #define POCC_ALL_HNF_MATRICES_FILE XHOST.adefault.getattachedscheme("POCC_ALL_HNF_MATRICES_FILE") |
Definition at line 524 of file aflow_aflowrc.h.
| #define AFLOWRC_POCC_ALL_SITE_CONFIGURATIONS_FILE std::string("site_configurations.out") |
Definition at line 525 of file aflow_aflowrc.h.
| #define POCC_ALL_SITE_CONFIGURATIONS_FILE XHOST.adefault.getattachedscheme("POCC_ALL_SITE_CONFIGURATIONS_FILE") |
Definition at line 526 of file aflow_aflowrc.h.
| #define AFLOWRC_POCC_DOSCAR_FILE std::string("DOSCAR.pocc") |
Definition at line 527 of file aflow_aflowrc.h.
| #define POCC_DOSCAR_FILE XHOST.adefault.getattachedscheme("POCC_DOSCAR_FILE") |
Definition at line 528 of file aflow_aflowrc.h.
| #define AFLOWRC_POCC_PHDOSCAR_FILE std::string("PHDOSCAR.pocc") |
Definition at line 529 of file aflow_aflowrc.h.
| #define POCC_PHDOSCAR_FILE XHOST.adefault.getattachedscheme("POCC_PHDOSCAR_FILE") |
Definition at line 530 of file aflow_aflowrc.h.
| #define AFLOWRC_POCC_ANIONS_LIST std::string("B,C,N,O") |
Definition at line 531 of file aflow_aflowrc.h.
| #define POCC_ANIONS_LIST XHOST.adefault.getattachedscheme("POCC_ANIONS_LIST") |
Definition at line 532 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_PREC std::string("PHONONS") |
Definition at line 536 of file aflow_aflowrc.h.
| #define DEFAULT_APL_PREC XHOST.adefault.getattachedscheme("DEFAULT_APL_PREC") |
Definition at line 537 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_ENGINE std::string("DM") |
Definition at line 538 of file aflow_aflowrc.h.
| #define DEFAULT_APL_ENGINE XHOST.adefault.getattachedscheme("DEFAULT_APL_ENGINE") |
Definition at line 539 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_HIBERNATE true |
Definition at line 540 of file aflow_aflowrc.h.
| #define DEFAULT_APL_HIBERNATE XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_HIBERNATE") |
Definition at line 541 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_MINSHELL 6 |
Definition at line 542 of file aflow_aflowrc.h.
| #define DEFAULT_APL_MINSHELL XHOST.adefault.getattachedutype<int>("DEFAULT_APL_MINSHELL") |
Definition at line 543 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_MINATOMS 175 |
Definition at line 544 of file aflow_aflowrc.h.
| #define DEFAULT_APL_MINATOMS XHOST.adefault.getattachedutype<int>("DEFAULT_APL_MINATOMS") |
Definition at line 545 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_POLAR true |
Definition at line 546 of file aflow_aflowrc.h.
| #define DEFAULT_APL_POLAR XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_POLAR") |
Definition at line 547 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DMAG 0.015 |
Definition at line 548 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DMAG XHOST.adefault.getattachedutype<double>("DEFAULT_APL_DMAG") |
Definition at line 549 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DXYZONLY false |
Definition at line 550 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DXYZONLY XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DXYZONLY") |
Definition at line 551 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DSYMMETRIZE true |
Definition at line 552 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DSYMMETRIZE XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DSYMMETRIZE") |
Definition at line 553 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DINEQUIV_ONLY true |
Definition at line 554 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DINEQUIV_ONLY XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DINEQUIV_ONLY") |
Definition at line 555 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DPM std::string("ON") |
Definition at line 556 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DPM XHOST.adefault.getattachedscheme("DEFAULT_APL_DPM") |
Definition at line 557 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_RELAX true |
Definition at line 558 of file aflow_aflowrc.h.
| #define DEFAULT_APL_RELAX XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_RELAX") |
Definition at line 559 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_RELAX_COMMENSURATE true |
Definition at line 560 of file aflow_aflowrc.h.
| #define DEFAULT_APL_RELAX_COMMENSURATE XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_RELAX_COMMENSURATE") |
Definition at line 561 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_ZEROSTATE false |
Definition at line 562 of file aflow_aflowrc.h.
| #define DEFAULT_APL_ZEROSTATE XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_ZEROSTATE") |
Definition at line 563 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_ZEROSTATE_CHGCAR false |
Definition at line 564 of file aflow_aflowrc.h.
| #define DEFAULT_APL_ZEROSTATE_CHGCAR XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_ZEROSTATE_CHGCAR") |
Definition at line 565 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_USE_LEPSILON true |
Definition at line 566 of file aflow_aflowrc.h.
| #define DEFAULT_APL_USE_LEPSILON XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_USE_LEPSILON") |
Definition at line 567 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_FREQFORMAT std::string("THZ|ALLOW_NEGATIVE") |
Definition at line 570 of file aflow_aflowrc.h.
| #define DEFAULT_APL_FREQFORMAT XHOST.adefault.getattachedscheme("DEFAULT_APL_FREQFORMAT") |
Definition at line 571 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DC true |
Definition at line 572 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DC XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DC") |
Definition at line 573 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DCPATH std::string("LATTICE") |
Definition at line 574 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DCPATH XHOST.adefault.getattachedscheme("DEFAULT_APL_DCPATH") |
Definition at line 575 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DCPOINTS 100 |
Definition at line 576 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DCPOINTS XHOST.adefault.getattachedutype<int>("DEFAULT_APL_DCPOINTS") |
Definition at line 577 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DOS true |
Definition at line 578 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DOS XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DOS") |
Definition at line 579 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DOSMETHOD std::string("LT") |
Definition at line 580 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DOSMETHOD XHOST.adefault.getattachedscheme("DEFAULT_APL_DOSMETHOD") |
Definition at line 581 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DOSMESH std::string("21x21x21") |
Definition at line 582 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DOSMESH XHOST.adefault.getattachedscheme("DEFAULT_APL_DOSMESH") |
Definition at line 583 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DOSPOINTS 2000 |
Definition at line 584 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DOSPOINTS XHOST.adefault.getattachedutype<int>("DEFAULT_APL_DOSPOINTS") |
Definition at line 585 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DOSSMEAR 0.0 |
Definition at line 586 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DOSSMEAR XHOST.adefault.getattachedutype<double>("DEFAULT_APL_DOSSMEAR") |
Definition at line 587 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DOS_PROJECT false |
Definition at line 588 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DOS_PROJECT XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DOS_PROJECT") |
Definition at line 589 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_TP true |
Definition at line 590 of file aflow_aflowrc.h.
| #define DEFAULT_APL_TP XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_TP") |
Definition at line 591 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DISPLACEMENTS true |
Definition at line 592 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DISPLACEMENTS XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DISPLACEMENTS") |
Definition at line 593 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_TPT std::string("0:2000:10") |
Definition at line 594 of file aflow_aflowrc.h.
| #define DEFAULT_APL_TPT XHOST.adefault.getattachedscheme("DEFAULT_APL_TPT") |
Definition at line 595 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_GVEL true |
Definition at line 596 of file aflow_aflowrc.h.
| #define DEFAULT_APL_GVEL XHOST.adefault.getattachedutype<bool>("DEFAULT_APL_DISPLACEMENTS") |
Definition at line 597 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_FILE_PREFIX std::string("aflow.apl.") |
Definition at line 600 of file aflow_aflowrc.h.
| #define DEFAULT_APL_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_APL_FILE_PREFIX") |
Definition at line 601 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_OUT_FILE std::string("out") |
Definition at line 602 of file aflow_aflowrc.h.
| #define DEFAULT_APL_OUT_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_OUT_FILE") |
Definition at line 603 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_PDIS_FILE std::string("phonon_dispersion.out") |
Definition at line 604 of file aflow_aflowrc.h.
| #define DEFAULT_APL_PDIS_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_PDIS_FILE") |
Definition at line 605 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_PDOS_FILE std::string("phonon_dos.out") |
Definition at line 606 of file aflow_aflowrc.h.
| #define DEFAULT_APL_PDOS_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_PDOS_FILE") |
Definition at line 607 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_THERMO_FILE std::string("thermodynamic_properties.out") |
Definition at line 608 of file aflow_aflowrc.h.
| #define DEFAULT_APL_THERMO_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_THERMO_FILE") |
Definition at line 609 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_THERMO_JSON std::string("thermodynamic_properties.json") |
Definition at line 610 of file aflow_aflowrc.h.
| #define DEFAULT_APL_THERMO_JSON XHOST.adefault.getattachedscheme("DEFAULT_APL_THERMO_JSON") |
Definition at line 611 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_DYNMAT_FILE std::string("DYNMAT.out") |
Definition at line 612 of file aflow_aflowrc.h.
| #define DEFAULT_APL_DYNMAT_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_DYNMAT_FILE") |
Definition at line 613 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_HARMIFC_FILE std::string("harmonicIFCs.xml") |
Definition at line 614 of file aflow_aflowrc.h.
| #define DEFAULT_APL_HARMIFC_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_HARMIFC_FILE") |
Definition at line 615 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_POLAR_FILE std::string("polar.xml") |
Definition at line 617 of file aflow_aflowrc.h.
| #define DEFAULT_APL_POLAR_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_POLAR_FILE") |
Definition at line 618 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_HSKPTS_FILE std::string("hskpoints.out") |
Definition at line 619 of file aflow_aflowrc.h.
| #define DEFAULT_APL_HSKPTS_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_HSKPTS_FILE") |
Definition at line 620 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_MSQRDISP_FILE std::string("displacements.out") |
Definition at line 621 of file aflow_aflowrc.h.
| #define DEFAULT_APL_MSQRDISP_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_MSQRDISP_FILE") |
Definition at line 622 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_GVEL_FILE std::string("group_velocities.out") |
Definition at line 623 of file aflow_aflowrc.h.
| #define DEFAULT_APL_GVEL_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_GVEL_FILE") |
Definition at line 624 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_PHDOSCAR_FILE std::string("PHDOSCAR") |
Definition at line 626 of file aflow_aflowrc.h.
| #define DEFAULT_APL_PHDOSCAR_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_PHDOSCAR_FILE") |
Definition at line 627 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_PHPOSCAR_FILE std::string("PHPOSCAR") |
Definition at line 628 of file aflow_aflowrc.h.
| #define DEFAULT_APL_PHPOSCAR_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_PHPOSCAR_FILE") |
Definition at line 629 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_PHKPOINTS_FILE std::string("PHKPOINTS") |
Definition at line 630 of file aflow_aflowrc.h.
| #define DEFAULT_APL_PHKPOINTS_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_PHKPOINTS_FILE") |
Definition at line 631 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_PHEIGENVAL_FILE std::string("PHEIGENVAL") |
Definition at line 632 of file aflow_aflowrc.h.
| #define DEFAULT_APL_PHEIGENVAL_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_PHEIGENVAL_FILE") |
Definition at line 633 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_STATE_FILE std::string("fccalc_state.out") |
Definition at line 635 of file aflow_aflowrc.h.
| #define DEFAULT_APL_STATE_FILE XHOST.adefault.getattachedscheme("DEFAULT_APL_STATE_FILE") |
Definition at line 636 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_ADISP_SCENE_FORMAT std::string("XCRYSDEN") |
Definition at line 639 of file aflow_aflowrc.h.
| #define DEFAULT_APL_ADISP_SCENE_FORMAT XHOST.adefault.getattachedscheme("DEFAULT_APL_ADISP_SCENE_FORMAT") |
Definition at line 640 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_ADISP_AMPLITUDE 0.25 |
Definition at line 641 of file aflow_aflowrc.h.
| #define DEFAULT_APL_ADISP_AMPLITUDE XHOST.adefault.getattachedutype<double>("DEFAULT_APL_ADISP_AMPLITUDE") |
Definition at line 642 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_ADISP_NSTEPS 20 |
Definition at line 643 of file aflow_aflowrc.h.
| #define DEFAULT_APL_ADISP_NSTEPS XHOST.adefault.getattachedutype<int>("DEFAULT_APL_ADISP_NSTEPS") |
Definition at line 644 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_APL_ADISP_NPERIODS 1 |
Definition at line 645 of file aflow_aflowrc.h.
| #define DEFAULT_APL_ADISP_NPERIODS XHOST.adefault.getattachedutype<int>("DEFAULT_APL_ADISP_NPERIODS") |
Definition at line 646 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_MODE std::string("QHA") |
Definition at line 651 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_MODE XHOST.adefault.getattachedscheme("DEFAULT_QHA_MODE") |
Definition at line 652 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_EOS true |
Definition at line 653 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_EOS XHOST.adefault.getattachedutype<bool>("DEFAULT_QHA_EOS") |
Definition at line 654 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_EOS_DISTORTION_RANGE std::string("-12:16:3") |
Definition at line 655 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_EOS_DISTORTION_RANGE XHOST.adefault.getattachedscheme("DEFAULT_QHA_EOS_DISTORTION_RANGE") |
Definition at line 656 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_EOS_MODEL std::string("SJ") |
Definition at line 658 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_EOS_MODEL XHOST.adefault.getattachedscheme("DEFAULT_QHA_EOS_MODEL") |
Definition at line 659 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_GP_DISTORTION 1.0 |
Definition at line 661 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_GP_DISTORTION XHOST.adefault.getattachedutype<double>("DEFAULT_QHA_GP_DISTORTION") |
Definition at line 662 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_TAYLOR_EXPANSION_ORDER 2 |
Definition at line 664 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_TAYLOR_EXPANSION_ORDER XHOST.adefault.getattachedutype<double>("DEFAULT_QHA_TAYLOR_EXPANSION_ORDER") |
Definition at line 665 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_INCLUDE_ELEC_CONTRIB false |
Definition at line 667 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_INCLUDE_ELEC_CONTRIB XHOST.adefault.getattachedutype<bool>("DEFAULT_QHA_INCLUDE_ELEC_CONTRIB") |
Definition at line 668 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_SOMMERFELD_EXPANSION false |
Definition at line 670 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_SOMMERFELD_EXPANSION XHOST.adefault.getattachedutype<bool>("DEFAULT_QHA_SOMMERFELD_EXPANSION") |
Definition at line 671 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_PDIS_T std::string("300") |
Definition at line 673 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_PDIS_T XHOST.adefault.getattachedscheme("DEFAULT_QHA_PDIS_T") |
Definition at line 674 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_GP_FINITE_DIFF false |
Definition at line 676 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_GP_FINITE_DIFF XHOST.adefault.getattachedutype<bool>("DEFAULT_QHA_GP_FINITE_DIFF") |
Definition at line 677 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_IGNORE_IMAGINARY false |
Definition at line 678 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_IGNORE_IMAGINARY XHOST.adefault.getattachedutype<bool>("DEFAULT_QHA_IGNORE_IMAGINARY") |
Definition at line 679 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_RELAX_IONS_CELL false |
Definition at line 681 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_RELAX_IONS_CELL XHOST.adefault.getattachedutype<bool>("DEFAULT_QHA_RELAX_IONS_CELL") |
Definition at line 682 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_FILE_PREFIX std::string("aflow.qha.") |
Definition at line 686 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_QHA_FILE_PREFIX") |
Definition at line 687 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA3P_FILE_PREFIX std::string("aflow.qha3p.") |
Definition at line 689 of file aflow_aflowrc.h.
| #define DEFAULT_QHA3P_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_QHA3P_FILE_PREFIX") |
Definition at line 690 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHANP_FILE_PREFIX std::string("aflow.qhanp.") |
Definition at line 691 of file aflow_aflowrc.h.
| #define DEFAULT_QHANP_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_QHANP_FILE_PREFIX") |
Definition at line 692 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_SCQHA_FILE_PREFIX std::string("aflow.scqha.") |
Definition at line 693 of file aflow_aflowrc.h.
| #define DEFAULT_SCQHA_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_SCQHA_FILE_PREFIX") |
Definition at line 694 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_GP_PATH_FILE std::string("gp.disp.out") |
Definition at line 696 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_GP_PATH_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_GP_PATH_FILE") |
Definition at line 697 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_GP_MESH_FILE std::string("gp.mesh.out") |
Definition at line 698 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_GP_MESH_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_GP_MESH_FILE") |
Definition at line 699 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_GP_AVG_FILE std::string("gp.avg.out") |
Definition at line 700 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_GP_AVG_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_GP_AVG_FILE") |
Definition at line 701 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_THERMO_FILE std::string("thermo.out") |
Definition at line 702 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_THERMO_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_THERMO_FILE") |
Definition at line 703 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_FREQS_FILE std::string("frequencies.out") |
Definition at line 704 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_FREQS_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_FREQS_FILE") |
Definition at line 705 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_FVT_FILE std::string("FVT.out") |
Definition at line 706 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_FVT_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_FVT_FILE") |
Definition at line 707 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_COEFF_FILE std::string("coeff.out") |
Definition at line 710 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_COEFF_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_COEFF_FILE") |
Definition at line 711 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_IMAG_FILE std::string("imag.out") |
Definition at line 712 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_IMAG_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_IMAG_FILE") |
Definition at line 713 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_PDIS_FILE std::string("dispersion_phonon") |
Definition at line 716 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_PDIS_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_PDIS_FILE") |
Definition at line 717 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_PDOS_FILE std::string("dos_phonon") |
Definition at line 720 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_PDOS_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_PDOS_FILE") |
Definition at line 721 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QHA_KPOINTS_FILE std::string("kpoints.out") |
Definition at line 724 of file aflow_aflowrc.h.
| #define DEFAULT_QHA_KPOINTS_FILE XHOST.adefault.getattachedscheme("DEFAULT_QHA_KPOINTS_FILE") |
Definition at line 725 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_POCC_QHA_THERMO_FILE std::string("qha.thermo.out") |
Definition at line 728 of file aflow_aflowrc.h.
| #define DEFAULT_POCC_QHA_THERMO_FILE XHOST.adefault.getattachedscheme("DEFAULT_POCC_QHA_THERMO_FILE") |
Definition at line 729 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_POCC_QHA_AVGTHERMO_FILE std::string("qha.avgthermo.out") |
Definition at line 730 of file aflow_aflowrc.h.
| #define DEFAULT_POCC_QHA_AVGTHERMO_FILE XHOST.adefault.getattachedscheme("DEFAULT_POCC_QHA_AVGTHERMO_FILE") |
Definition at line 731 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_BTE std::string("FULL") |
Definition at line 736 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_BTE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_BTE") |
Definition at line 737 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_FOURTH_ORDER false |
Definition at line 738 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_FOURTH_ORDER XHOST.adefault.getattachedutype<bool>("DEFAULT_AAPL_FOURTH_ORDER") |
Definition at line 739 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_CUT_RAD std::string("0.0") |
Definition at line 740 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_CUT_RAD XHOST.adefault.getattachedscheme("DEFAULT_AAPL_CUT_RAD") |
Definition at line 741 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_CUT_SHELL std::string("6") |
Definition at line 742 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_CUT_SHELL XHOST.adefault.getattachedscheme("DEFAULT_AAPL_CUT_SHELL") |
Definition at line 743 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_THERMALGRID std::string("21x21x21") |
Definition at line 744 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_THERMALGRID XHOST.adefault.getattachedscheme("DEFAULT_AAPL_THERMALGRID") |
Definition at line 745 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_TCT std::string("50:550:50") |
Definition at line 746 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_TCT XHOST.adefault.getattachedscheme("DEFAULT_AAPL_TCT") |
Definition at line 747 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_SUMRULE 1e-7 |
Definition at line 748 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_SUMRULE XHOST.adefault.getattachedutype<double>("DEFAULT_AAPL_SUMRULE") |
Definition at line 749 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_SUMRULE_MAX_ITER 2000 |
Definition at line 750 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_SUMRULE_MAX_ITER XHOST.adefault.getattachedutype<int>("DEFAULT_AAPL_SUMRULE_MAX_ITER") |
Definition at line 751 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_MIXING_COEFFICIENT 0.0 |
Definition at line 752 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_MIXING_COEFFICIENT XHOST.adefault.getattachedutype<double>("DEFAULT_AAPL_MIXING_COEFFICIENT") |
Definition at line 753 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_ISOTOPE true |
Definition at line 754 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_ISOTOPE XHOST.adefault.getattachedutype<bool>("DEFAULT_AAPL_ISOTOPE") |
Definition at line 755 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_BOUNDARY false |
Definition at line 756 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_BOUNDARY XHOST.adefault.getattachedutype<bool>("DEFAULT_AAPL_BOUNDARY") |
Definition at line 757 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_CUMULATIVEK false |
Definition at line 758 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_CUMULATIVEK XHOST.adefault.getattachedutype<bool>("DEFAULT_AAPL_CUMULATIVEK") |
Definition at line 759 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_NANO_SIZE 100.0 |
Definition at line 760 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_NANO_SIZE XHOST.adefault.getattachedutype<double>("DEFAULT_AAPL_NANO_SIZE") |
Definition at line 761 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_FILE_PREFIX std::string("aflow.aapl.") |
Definition at line 764 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_AAPL_FILE_PREFIX") |
Definition at line 765 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_IRRQPTS_FILE std::string("irred_qpoints.out") |
Definition at line 766 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_IRRQPTS_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_IRRQPTS_FILE") |
Definition at line 767 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_GVEL_FILE std::string("group_velocities.out") |
Definition at line 768 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_GVEL_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_GVEL_FILE") |
Definition at line 769 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_PS_FILE std::string("phase_space.out") |
Definition at line 770 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_PS_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_PS_FILE") |
Definition at line 771 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_GRUENEISEN_FILE std::string("grueneisen.out") |
Definition at line 772 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_GRUENEISEN_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_GRUENEISEN_FILE") |
Definition at line 773 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_RATES_FILE std::string("scattering_rates_total.out") |
Definition at line 774 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_RATES_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_RATES_FILE") |
Definition at line 775 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_RATES_3RD_FILE std::string("scattering_rates_anharmonic_3rd.out") |
Definition at line 776 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_RATES_3RD_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_RATES_3RD_FILE") |
Definition at line 777 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_RATES_4TH_FILE DEFAULT_AAPL_FILE_PREFIX+std::string("scattering_rates_anharmonic_4th.out") |
Definition at line 778 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_RATES_4TH_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_RATES_4TH_FILE") |
Definition at line 779 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_ISOTOPE_FILE std::string("scattering_rates_isotope.out") |
Definition at line 780 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_ISOTOPE_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_ISOTOPE_FILE") |
Definition at line 781 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_BOUNDARY_FILE std::string("scattering_rates_boundary.out") |
Definition at line 782 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_BOUNDARY_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_BOUNDARY_FILE") |
Definition at line 783 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AAPL_TCOND_FILE std::string("thermal_conductivity.out") |
Definition at line 784 of file aflow_aflowrc.h.
| #define DEFAULT_AAPL_TCOND_FILE XHOST.adefault.getattachedscheme("DEFAULT_AAPL_TCOND_FILE") |
Definition at line 785 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_STRAIN_SYMMETRY true |
Definition at line 790 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_STRAIN_SYMMETRY XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_STRAIN_SYMMETRY") |
Definition at line 791 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_NNORMAL_STRAINS 4 |
Definition at line 792 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_NNORMAL_STRAINS XHOST.adefault.getattachedutype<int>("DEFAULT_AEL_NNORMAL_STRAINS") |
Definition at line 793 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_NSHEAR_STRAINS 4 |
Definition at line 794 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_NSHEAR_STRAINS XHOST.adefault.getattachedutype<int>("DEFAULT_AEL_NSHEAR_STRAINS") |
Definition at line 795 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_NORMAL_STRAIN_STEP 0.005 |
Definition at line 796 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_NORMAL_STRAIN_STEP XHOST.adefault.getattachedutype<double>("DEFAULT_AEL_NORMAL_STRAIN_STEP") |
Definition at line 797 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_SHEAR_STRAIN_STEP 0.005 |
Definition at line 798 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_SHEAR_STRAIN_STEP XHOST.adefault.getattachedutype<double>("DEFAULT_AEL_SHEAR_STRAIN_STEP") |
Definition at line 799 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_ORIGIN_STRAIN_CALC false |
Definition at line 800 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_ORIGIN_STRAIN_CALC XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_ORIGIN_STRAIN_CALC") |
Definition at line 801 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_ORIGIN_STRAIN_FIT false |
Definition at line 802 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_ORIGIN_STRAIN_FIT XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_ORIGIN_STRAIN_FIT") |
Definition at line 803 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_RELAXED_STRUCT_FIT false |
Definition at line 804 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_RELAXED_STRUCT_FIT XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_RELAXED_STRUCT_FIT") |
Definition at line 805 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_NEG_STRAINS true |
Definition at line 806 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_NEG_STRAINS XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_NEG_STRAINS") |
Definition at line 807 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_NIND_STRAIN_DIRS 3 |
Definition at line 808 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_NIND_STRAIN_DIRS XHOST.adefault.getattachedutype<int>("DEFAULT_AEL_NIND_STRAIN_DIRS") |
Definition at line 809 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_VASPSYM false |
Definition at line 810 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_VASPSYM XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_VASPSYM") |
Definition at line 811 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_PRECACC_ALGONORM false |
Definition at line 812 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_PRECACC_ALGONORM XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_PRECACC_ALGONORM") |
Definition at line 813 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_VASPRUNXML_STRESS false |
Definition at line 814 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_VASPRUNXML_STRESS XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_VASPRUNXML_STRESS") |
Definition at line 815 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_AUTOSKIP_FAILED_ARUNS false |
Definition at line 816 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_AUTOSKIP_FAILED_ARUNS XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_AUTOSKIP_FAILED_ARUNS") |
Definition at line 817 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_SKIP_ARUNS_MAX 1 |
Definition at line 818 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_SKIP_ARUNS_MAX XHOST.adefault.getattachedutype<int>("DEFAULT_AEL_SKIP_ARUNS_MAX") |
Definition at line 819 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_CHECK_ELASTIC_SYMMETRY true |
Definition at line 822 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_CHECK_ELASTIC_SYMMETRY XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_CHECK_ELASTIC_SYMMETRY") |
Definition at line 823 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_SYMMETRIZE false |
Definition at line 824 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_SYMMETRIZE XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_SYMMETRIZE") |
Definition at line 825 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_FILE_PREFIX std::string("aflow.ael.") |
Definition at line 828 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_AEL_FILE_PREFIX") |
Definition at line 829 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_WRITE_FULL_RESULTS false |
Definition at line 830 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_WRITE_FULL_RESULTS XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_WRITE_FULL_RESULTS") |
Definition at line 831 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AEL_DIRNAME_ARUN true |
Definition at line 832 of file aflow_aflowrc.h.
| #define DEFAULT_AEL_DIRNAME_ARUN XHOST.adefault.getattachedutype<bool>("DEFAULT_AEL_DIRNAME_ARUN") |
Definition at line 833 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_AEL_POISSON_RATIO true |
Definition at line 837 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_AEL_POISSON_RATIO XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_AEL_POISSON_RATIO") |
Definition at line 838 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_NSTRUCTURES 28 |
Definition at line 839 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_NSTRUCTURES XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_NSTRUCTURES") |
Definition at line 840 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_STRAIN_STEP 0.01 |
Definition at line 841 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_STRAIN_STEP XHOST.adefault.getattachedutype<double>("DEFAULT_AGL_STRAIN_STEP") |
Definition at line 842 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_AUTOSKIP_FAILED_ARUNS false |
Definition at line 843 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_AUTOSKIP_FAILED_ARUNS XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_AUTOSKIP_FAILED_ARUNS") |
Definition at line 844 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_SKIP_ARUNS_MAX 7 |
Definition at line 845 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_SKIP_ARUNS_MAX XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_SKIP_ARUNS_MAX") |
Definition at line 846 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_NTEMPERATURE 201 |
Definition at line 849 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_NTEMPERATURE XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_NTEMPERATURE") |
Definition at line 850 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_STEMPERATURE 10.0 |
Definition at line 851 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_STEMPERATURE XHOST.adefault.getattachedutype<double>("DEFAULT_AGL_STEMPERATURE") |
Definition at line 852 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_NPRESSURE 101 |
Definition at line 853 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_NPRESSURE XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_NPRESSURE") |
Definition at line 854 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_SPRESSURE 1.0 |
Definition at line 855 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_SPRESSURE XHOST.adefault.getattachedutype<double>("DEFAULT_AGL_SPRESSURE") |
Definition at line 856 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_POISSON_RATIO 0.25 |
Definition at line 857 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_POISSON_RATIO XHOST.adefault.getattachedutype<double>("DEFAULT_AGL_POISSON_RATIO") |
Definition at line 858 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_IEOS 0 |
Definition at line 859 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_IEOS XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_IEOS") |
Definition at line 860 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_IDEBYE 0 |
Definition at line 861 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_IDEBYE XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_IDEBYE") |
Definition at line 862 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_FIT_TYPE 0 |
Definition at line 863 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_FIT_TYPE XHOST.adefault.getattachedutype<int>("DEFAULT_AGL_FIT_TYPE") |
Definition at line 864 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_CHECK_EV_CONCAVITY false |
Definition at line 865 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_CHECK_EV_CONCAVITY XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_CHECK_EV_CONCAVITY") |
Definition at line 866 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_CHECK_EV_MIN false |
Definition at line 867 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_CHECK_EV_MIN XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_CHECK_EV_MIN") |
Definition at line 868 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_HUGONIOT_CALC true |
Definition at line 869 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_HUGONIOT_CALC XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_HUGONIOT_CALC") |
Definition at line 870 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_HUGONIOT_EXTRAPOLATE false |
Definition at line 871 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_HUGONIOT_EXTRAPOLATE XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_HUGONIOT_EXTRAPOLATE") |
Definition at line 872 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_RUN_ALL_PRESSURE_TEMPERATURE false |
Definition at line 873 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_RUN_ALL_PRESSURE_TEMPERATURE XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_RUN_ALL_PRESSURE_TEMPERATURE") |
Definition at line 874 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_FILE_PREFIX std::string("aflow.agl.") |
Definition at line 877 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_FILE_PREFIX XHOST.adefault.getattachedscheme("DEFAULT_AGL_FILE_PREFIX") |
Definition at line 878 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_WRITE_FULL_RESULTS false |
Definition at line 879 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_WRITE_FULL_RESULTS XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_WRITE_FULL_RESULTS") |
Definition at line 880 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_DIRNAME_ARUN true |
Definition at line 881 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_DIRNAME_ARUN XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_DIRNAME_ARUN") |
Definition at line 882 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_WRITE_GIBBS_INPUT false |
Definition at line 883 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_WRITE_GIBBS_INPUT XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_WRITE_GIBBS_INPUT") |
Definition at line 884 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_AGL_PLOT_RESULTS false |
Definition at line 885 of file aflow_aflowrc.h.
| #define DEFAULT_AGL_PLOT_RESULTS XHOST.adefault.getattachedutype<bool>("DEFAULT_AGL_PLOT_RESULTS") |
Definition at line 886 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QCA_MIN_SLEEP_SECONDS 60 |
Definition at line 889 of file aflow_aflowrc.h.
| #define DEFAULT_QCA_MIN_SLEEP_SECONDS XHOST.adefault.getattachedutype<int>("DEFAULT_QCA_MIN_SLEEP_SECONDS") |
Definition at line 890 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QCA_MAX_NUM_ATOMS 8 |
Definition at line 891 of file aflow_aflowrc.h.
| #define DEFAULT_QCA_MAX_NUM_ATOMS XHOST.adefault.getattachedutype<int>("DEFAULT_QCA_MAX_NUM_ATOMS") |
Definition at line 892 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QCA_AFLOW_MAX_NUM_ATOMS 4 |
Definition at line 893 of file aflow_aflowrc.h.
| #define DEFAULT_QCA_AFLOW_MAX_NUM_ATOMS XHOST.adefault.getattachedutype<int>("DEFAULT_QCA_AFLOW_MAX_NUM_ATOMS") |
Definition at line 894 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QCA_CV_CUTOFF 0.05 |
Definition at line 895 of file aflow_aflowrc.h.
| #define DEFAULT_QCA_CV_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_QCA_CV_CUTOFF") |
Definition at line 896 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QCA_CONC_NPTS 20 |
Definition at line 897 of file aflow_aflowrc.h.
| #define DEFAULT_QCA_CONC_NPTS XHOST.adefault.getattachedutype<double>("DEFAULT_QCA_CONC_NPTS") |
Definition at line 898 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QCA_TEMP_NPTS 150 |
Definition at line 899 of file aflow_aflowrc.h.
| #define DEFAULT_QCA_TEMP_NPTS XHOST.adefault.getattachedutype<double>("DEFAULT_QCA_TEMP_NPTS") |
Definition at line 900 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QCA_TEMP_MIN 300 |
Definition at line 901 of file aflow_aflowrc.h.
| #define DEFAULT_QCA_TEMP_MIN XHOST.adefault.getattachedutype<double>("DEFAULT_QCA_TEMP_MIN") |
Definition at line 902 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QCA_TEMP_MAX 5000 |
Definition at line 903 of file aflow_aflowrc.h.
| #define DEFAULT_QCA_TEMP_MAX XHOST.adefault.getattachedutype<double>("DEFAULT_QCA_TEMP_MAX") |
Definition at line 904 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QCA_TEMP_MIN_LIMIT 10000 |
Definition at line 905 of file aflow_aflowrc.h.
| #define DEFAULT_QCA_TEMP_MIN_LIMIT XHOST.adefault.getattachedutype<double>("DEFAULT_QCA_TEMP_MIN_LIMIT") |
Definition at line 906 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_QCA_PRINT std::string("txt") |
Definition at line 907 of file aflow_aflowrc.h.
| #define DEFAULT_QCA_PRINT XHOST.adefault.getattachedscheme("DEFAULT_QCA_PRINT") |
Definition at line 908 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CCE_OX_METHOD 1 |
Definition at line 912 of file aflow_aflowrc.h.
| #define DEFAULT_CCE_OX_METHOD XHOST.adefault.getattachedutype<int>("DEFAULT_CCE_OX_METHOD") |
Definition at line 913 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CCE_NN_DIST_TOL_MULTI_ANION 0.4 |
Definition at line 914 of file aflow_aflowrc.h.
| #define DEFAULT_CCE_NN_DIST_TOL_MULTI_ANION XHOST.adefault.getattachedutype<double>("DEFAULT_CCE_NN_DIST_TOL_MULTI_ANION") |
Definition at line 915 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CCE_OX_TOL 0.001 |
Definition at line 916 of file aflow_aflowrc.h.
| #define DEFAULT_CCE_OX_TOL XHOST.adefault.getattachedutype<double>("DEFAULT_CCE_OX_TOL") |
Definition at line 917 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CCE_PEROX_CUTOFF 1.6 |
Definition at line 918 of file aflow_aflowrc.h.
| #define DEFAULT_CCE_PEROX_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_CCE_PEROX_CUTOFF") |
Definition at line 919 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CCE_SUPEROX_CUTOFF 1.4 |
Definition at line 920 of file aflow_aflowrc.h.
| #define DEFAULT_CCE_SUPEROX_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_CCE_SUPEROX_CUTOFF") |
Definition at line 921 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CCE_O2_MOLECULE_UPPER_CUTOFF 1.3 |
Definition at line 922 of file aflow_aflowrc.h.
| #define DEFAULT_CCE_O2_MOLECULE_UPPER_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_CCE_O2_MOLECULE_UPPER_CUTOFF") |
Definition at line 923 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_CCE_O2_MOLECULE_LOWER_CUTOFF 1.2 |
Definition at line 924 of file aflow_aflowrc.h.
| #define DEFAULT_CCE_O2_MOLECULE_LOWER_CUTOFF XHOST.adefault.getattachedutype<double>("DEFAULT_CCE_O2_MOLECULE_LOWER_CUTOFF") |
Definition at line 925 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_XTALFINDER_MISFIT_MATCH 0.1 |
Definition at line 929 of file aflow_aflowrc.h.
| #define DEFAULT_XTALFINDER_MISFIT_MATCH XHOST.adefault.getattachedutype<double>("DEFAULT_XTALFINDER_MISFIT_MATCH") |
Definition at line 930 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_XTALFINDER_MISFIT_FAMILY 0.2 |
Definition at line 931 of file aflow_aflowrc.h.
| #define DEFAULT_XTALFINDER_MISFIT_FAMILY XHOST.adefault.getattachedutype<double>("DEFAULT_XTALFINDER_MISFIT_FAMILY") |
Definition at line 932 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_XTALFINDER_SUPERCELL_METHOD false |
Definition at line 933 of file aflow_aflowrc.h.
| #define DEFAULT_XTALFINDER_SUPERCELL_METHOD XHOST.adefault.getattachedutype<bool>("DEFAULT_XTALFINDER_SUPERCELL_METHOD") |
Definition at line 934 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_XTALFINDER_SAFE_ATOM_MATCH_SCALING 4.0 |
Definition at line 936 of file aflow_aflowrc.h.
| #define DEFAULT_XTALFINDER_SAFE_ATOM_MATCH_SCALING XHOST.adefault.getattachedutype<double>("DEFAULT_XTALFINDER_SAFE_ATOM_MATCH_SCALING") |
Definition at line 937 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_XTALFINDER_FILE_MATERIAL std::string("material_comparison_output") |
Definition at line 939 of file aflow_aflowrc.h.
| #define DEFAULT_XTALFINDER_FILE_MATERIAL XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_MATERIAL") |
Definition at line 940 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_XTALFINDER_FILE_STRUCTURE std::string("structure_comparison_output") |
Definition at line 941 of file aflow_aflowrc.h.
| #define DEFAULT_XTALFINDER_FILE_STRUCTURE XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_STRUCTURE") |
Definition at line 942 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_XTALFINDER_FILE_DUPLICATE std::string("duplicate_compounds_output") |
Definition at line 943 of file aflow_aflowrc.h.
| #define DEFAULT_XTALFINDER_FILE_DUPLICATE XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_DUPLICATE") |
Definition at line 944 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_XTALFINDER_FILE_MATERIAL_COMPARE2DATABASE std::string("material_comparison_compare2database_output") |
Definition at line 945 of file aflow_aflowrc.h.
| #define DEFAULT_XTALFINDER_FILE_MATERIAL_COMPARE2DATABASE XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_MATERIAL_COMPARE2DATABASE") |
Definition at line 946 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_XTALFINDER_FILE_STRUCTURE_COMPARE2DATABASE std::string("structure_comparison_compare2database_output") |
Definition at line 947 of file aflow_aflowrc.h.
| #define DEFAULT_XTALFINDER_FILE_STRUCTURE_COMPARE2DATABASE XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_STRUCTURE_COMPARE2DATABASE") |
Definition at line 948 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_XTALFINDER_FILE_MATERIAL_DATABASE std::string("material_comparison_database_output") |
Definition at line 949 of file aflow_aflowrc.h.
| #define DEFAULT_XTALFINDER_FILE_MATERIAL_DATABASE XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_MATERIAL_DATABASE") |
Definition at line 950 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_XTALFINDER_FILE_STRUCTURE_DATABASE std::string("structure_comparison_database_output") |
Definition at line 951 of file aflow_aflowrc.h.
| #define DEFAULT_XTALFINDER_FILE_STRUCTURE_DATABASE XHOST.adefault.getattachedscheme("DEFAULT_XTALFINDER_FILE_STRUCTURE_DATABASE") |
Definition at line 952 of file aflow_aflowrc.h.
| #define AFLOWRC_DEFAULT_ANRL_WYCKOFF_FRACTIONAL_TOL 1e-6 |
Definition at line 956 of file aflow_aflowrc.h.
| #define DEFAULT_ANRL_WYCKOFF_FRACTIONAL_TOL XHOST.adefault.getattachedutype<double>("DEFAULT_ANRL_WYCKOFF_FRACTIONAL_TOL") |
Definition at line 957 of file aflow_aflowrc.h.
| #define AFLOWRC_AFLOW_CORE_TEMPERATURE_BEEP 56.0 |
Definition at line 961 of file aflow_aflowrc.h.
| #define AFLOW_CORE_TEMPERATURE_BEEP XHOST.adefault.getattachedutype<double>("AFLOW_CORE_TEMPERATURE_BEEP") |
Definition at line 962 of file aflow_aflowrc.h.
| #define AFLOWRC_AFLOW_CORE_TEMPERATURE_HALT 65.0 |
Definition at line 963 of file aflow_aflowrc.h.
| #define AFLOW_CORE_TEMPERATURE_HALT XHOST.adefault.getattachedutype<double>("AFLOW_CORE_TEMPERATURE_HALT") |
Definition at line 964 of file aflow_aflowrc.h.
| #define AFLOWRC_AFLOW_CORE_TEMPERATURE_REFRESH 5.0 |
Definition at line 965 of file aflow_aflowrc.h.
| #define AFLOW_CORE_TEMPERATURE_REFRESH XHOST.adefault.getattachedutype<double>("AFLOW_CORE_TEMPERATURE_REFRESH") |
Definition at line 966 of file aflow_aflowrc.h.
| #define AFLOWRC_SECONDS_SLEEP_VASP_COMPLETION 15 |
Definition at line 969 of file aflow_aflowrc.h.
| #define SECONDS_SLEEP_VASP_COMPLETION XHOST.adefault.getattachedutype<double>("SECONDS_SLEEP_VASP_COMPLETION") |
Definition at line 970 of file aflow_aflowrc.h.
| #define AFLOWRC_SECONDS_SLEEP_VASP_MONITOR 60 |
Definition at line 971 of file aflow_aflowrc.h.
| #define SECONDS_SLEEP_VASP_MONITOR XHOST.adefault.getattachedutype<double>("SECONDS_SLEEP_VASP_MONITOR") |
Definition at line 972 of file aflow_aflowrc.h.
| #define AFLOWRC_SECONDS_STALE_OUTCAR 21600 |
Definition at line 973 of file aflow_aflowrc.h.
| #define SECONDS_STALE_OUTCAR XHOST.adefault.getattachedutype<double>("SECONDS_STALE_OUTCAR") |
Definition at line 974 of file aflow_aflowrc.h.
| #define AFLOWRC_BYTES_MAX_VASP_OUT 20000000000 |
Definition at line 975 of file aflow_aflowrc.h.
| #define BYTES_MAX_VASP_OUT XHOST.adefault.getattachedutype<unsigned long long int>("BYTES_MAX_VASP_OUT") |
Definition at line 976 of file aflow_aflowrc.h.
| #define AFLOWRC_MEMORY_MAX_USAGE_RAM 98 |
Definition at line 977 of file aflow_aflowrc.h.
| #define MEMORY_MAX_USAGE_RAM XHOST.adefault.getattachedutype<double>("MEMORY_MAX_USAGE_RAM") |
Definition at line 978 of file aflow_aflowrc.h.
| #define AFLOWRC_MEMORY_MAX_USAGE_SWAP 45 |
Definition at line 979 of file aflow_aflowrc.h.
| #define MEMORY_MAX_USAGE_SWAP XHOST.adefault.getattachedutype<double>("MEMORY_MAX_USAGE_SWAP") |
Definition at line 980 of file aflow_aflowrc.h.
| #define AFLOWRC_FILE_VASP_MONITOR std::string("monitor_vasp") |
Definition at line 981 of file aflow_aflowrc.h.
| #define FILE_VASP_MONITOR XHOST.adefault.getattachedscheme("FILE_VASP_MONITOR") |
Definition at line 982 of file aflow_aflowrc.h.
| #define AFLOWRC_INTEL_COMPILER_PATHS std::string("/opt/intel/bin/compilervars.sh,/opt/intel/bin/compilervars.csh,/app/intel/parallel_studio_xe_2020_update1/bin/compilervars.sh") |
Definition at line 983 of file aflow_aflowrc.h.
| #define INTEL_COMPILER_PATHS XHOST.adefault.getattachedscheme("INTEL_COMPILER_PATHS") |
Definition at line 984 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_DUKE_BETA_MPICH std::string("ulimit -s unlimited ") |
Definition at line 987 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_DUKE_BETA_MPICH XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_BETA_MPICH") |
Definition at line 988 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_DUKE_BETA_MPICH std::string("/usr/bin/mpiexec -np") |
Definition at line 989 of file aflow_aflowrc.h.
| #define MPI_COMMAND_DUKE_BETA_MPICH XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_BETA_MPICH") |
Definition at line 990 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_DUKE_BETA_MPICH std::string("/usr/local/bin/") |
Definition at line 991 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_DUKE_BETA_MPICH XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_BETA_MPICH") |
Definition at line 992 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_DUKE_BETA_OPENMPI std::string("ulimit -s unlimited ") |
Definition at line 994 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_DUKE_BETA_OPENMPI XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_BETA_OPENMPI") |
Definition at line 995 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_DUKE_BETA_OPENMPI std::string("/usr/bin/mpirun.openmpi -np") |
Definition at line 996 of file aflow_aflowrc.h.
| #define MPI_COMMAND_DUKE_BETA_OPENMPI XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_BETA_OPENMPI") |
Definition at line 997 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_DUKE_BETA_OPENMPI std::string("/usr/local/bin/") |
Definition at line 998 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_DUKE_BETA_OPENMPI XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_BETA_OPENMPI") |
Definition at line 999 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_DUKE_MATERIALS std::string("ulimit -s unlimited ") |
Definition at line 1001 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_DUKE_MATERIALS XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_MATERIALS") |
Definition at line 1002 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_DUKE_MATERIALS std::string("/usr/bin/mpiexec -np") |
Definition at line 1003 of file aflow_aflowrc.h.
| #define MPI_COMMAND_DUKE_MATERIALS XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_MATERIALS") |
Definition at line 1004 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_DUKE_MATERIALS std::string("/usr/local/bin/") |
Definition at line 1005 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_DUKE_MATERIALS XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_MATERIALS") |
Definition at line 1006 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_DUKE_AFLOWLIB std::string("ulimit -s unlimited ") |
Definition at line 1008 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_DUKE_AFLOWLIB XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_AFLOWLIB") |
Definition at line 1009 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_DUKE_AFLOWLIB std::string("/usr/bin/mpiexec -np") |
Definition at line 1010 of file aflow_aflowrc.h.
| #define MPI_COMMAND_DUKE_AFLOWLIB XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_AFLOWLIB") |
Definition at line 1011 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_DUKE_AFLOWLIB std::string("/usr/local/bin/") |
Definition at line 1012 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_DUKE_AFLOWLIB XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_AFLOWLIB") |
Definition at line 1013 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_DUKE_HABANA std::string("ulimit -s unlimited ") |
Definition at line 1015 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_DUKE_HABANA XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_HABANA") |
Definition at line 1016 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_DUKE_HABANA std::string("/usr/bin/mpiexec -np") |
Definition at line 1017 of file aflow_aflowrc.h.
| #define MPI_COMMAND_DUKE_HABANA XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_HABANA") |
Definition at line 1018 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_DUKE_HABANA std::string("/usr/local/bin/") |
Definition at line 1019 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_DUKE_HABANA XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_HABANA") |
Definition at line 1020 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_DUKE_QRATS_MPICH std::string("ulimit -s unlimited ") |
Definition at line 1022 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_DUKE_QRATS_MPICH XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_QRATS_MPICH") |
Definition at line 1023 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_DUKE_QRATS_MPICH std::string("/MAIN/bin/MPICH/bin/mpirun -np") |
Definition at line 1024 of file aflow_aflowrc.h.
| #define MPI_COMMAND_DUKE_QRATS_MPICH XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_QRATS_MPICH") |
Definition at line 1025 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_DUKE_QRATS_MPICH std::string("/usr/local/bin/") |
Definition at line 1026 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_DUKE_QRATS_MPICH XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_QRATS_MPICH") |
Definition at line 1027 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_DUKE_QFLOW_OPENMPI std::string("ulimit -s unlimited ") |
Definition at line 1029 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_DUKE_QFLOW_OPENMPI XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_QFLOW_OPENMPI") |
Definition at line 1030 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_DUKE_QFLOW_OPENMPI std::string("/home/bin/local/bin/mpirun -n") |
Definition at line 1031 of file aflow_aflowrc.h.
| #define MPI_COMMAND_DUKE_QFLOW_OPENMPI XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_QFLOW_OPENMPI") |
Definition at line 1032 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_DUKE_QFLOW_OPENMPI std::string("/home/bin/") |
Definition at line 1033 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_DUKE_QFLOW_OPENMPI XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_QFLOW_OPENMPI") |
Definition at line 1034 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_DUKE_X_X std::string("ulimit -s unlimited ") |
Definition at line 1037 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_DUKE_X_X XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_X_X") |
Definition at line 1038 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_DUKE_X_X std::string("srun --mpi=pmix --cpus-per-task") |
Definition at line 1039 of file aflow_aflowrc.h.
| #define MPI_COMMAND_DUKE_X_X XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_X_X") |
Definition at line 1040 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_DUKE_X_X std::string("~/bin/x/") |
Definition at line 1041 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_DUKE_X_X XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_X_X") |
Definition at line 1042 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_DUKE_X_CRAY std::string("ulimit -s unlimited ") |
Definition at line 1043 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_DUKE_X_CRAY XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_X_CRAY") |
Definition at line 1044 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_DUKE_X_CRAY std::string("srun --mpi=pmix --cpus-per-task") |
Definition at line 1045 of file aflow_aflowrc.h.
| #define MPI_COMMAND_DUKE_X_CRAY XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_X_CRAY") |
Definition at line 1046 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_DUKE_X_CRAY std::string("~/bin/cray/") |
Definition at line 1047 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_DUKE_X_CRAY XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_X_CRAY") |
Definition at line 1048 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_DUKE_X_OLDCRAY std::string("ulimit -s unlimited ") |
Definition at line 1049 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_DUKE_X_OLDCRAY XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_X_OLDCRAY") |
Definition at line 1050 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_DUKE_X_OLDCRAY std::string("srun --mpi=pmix --cpus-per-task") |
Definition at line 1051 of file aflow_aflowrc.h.
| #define MPI_COMMAND_DUKE_X_OLDCRAY XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_X_OLDCRAY") |
Definition at line 1052 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_DUKE_X_OLDCRAY std::string("~/bin/oldcray/") |
Definition at line 1053 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_DUKE_X_OLDCRAY XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_X_OLDCRAY") |
Definition at line 1054 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_DUKE_X_SMB std::string("ulimit -s unlimited ") |
Definition at line 1055 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_DUKE_X_SMB XHOST.adefault.getattachedscheme("MPI_OPTIONS_DUKE_X_SMB") |
Definition at line 1056 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_DUKE_X_SMB std::string("srun --mpi=pmix --cpus-per-task") |
Definition at line 1057 of file aflow_aflowrc.h.
| #define MPI_COMMAND_DUKE_X_SMB XHOST.adefault.getattachedscheme("MPI_COMMAND_DUKE_X_SMB") |
Definition at line 1058 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_DUKE_X_SMB std::string("~/bin/smb/") |
Definition at line 1059 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_DUKE_X_SMB XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_DUKE_X_SMB") |
Definition at line 1060 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_JHU_ROCKFISH std::string("ulimit -s unlimited ") |
Definition at line 1064 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_JHU_ROCKFISH XHOST.adefault.getattachedscheme("MPI_OPTIONS_JHU_ROCKFISH") |
Definition at line 1065 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_JHU_ROCKFISH std::string("mpirun -n") |
Definition at line 1066 of file aflow_aflowrc.h.
| #define MPI_COMMAND_JHU_ROCKFISH XHOST.adefault.getattachedscheme("MPI_COMMAND_JHU_ROCKFISH") |
Definition at line 1067 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_JHU_ROCKFISH std::string("~/bin/") |
Definition at line 1068 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_JHU_ROCKFISH XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_JHU_ROCKFISH") |
Definition at line 1069 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_MACHINE001 std::string("") |
Definition at line 1073 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_MACHINE001 XHOST.adefault.getattachedscheme("MPI_OPTIONS_MACHINE001") |
Definition at line 1074 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_MACHINE001 std::string("aprun -n") |
Definition at line 1075 of file aflow_aflowrc.h.
| #define MPI_COMMAND_MACHINE001 XHOST.adefault.getattachedscheme("MPI_COMMAND_MACHINE001") |
Definition at line 1076 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_MACHINE001 std::string("~/bin/") |
Definition at line 1077 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_MACHINE001 XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MACHINE001") |
Definition at line 1078 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_MACHINE002 std::string("") |
Definition at line 1082 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_MACHINE002 XHOST.adefault.getattachedscheme("MPI_OPTIONS_MACHINE002") |
Definition at line 1083 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_MACHINE002 std::string("mpirun -np") |
Definition at line 1084 of file aflow_aflowrc.h.
| #define MPI_COMMAND_MACHINE002 XHOST.adefault.getattachedscheme("MPI_COMMAND_MACHINE002") |
Definition at line 1085 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_MACHINE002 std::string("~/bin/") |
Definition at line 1086 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_MACHINE002 XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MACHINE002") |
Definition at line 1087 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_MACHINE003 std::string("") |
Definition at line 1091 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_MACHINE003 XHOST.adefault.getattachedscheme("MPI_OPTIONS_MACHINE003") |
Definition at line 1092 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_MACHINE003 std::string("mpiexec -n") |
Definition at line 1093 of file aflow_aflowrc.h.
| #define MPI_COMMAND_MACHINE003 XHOST.adefault.getattachedscheme("MPI_COMMAND_MACHINE003") |
Definition at line 1094 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_MACHINE003 std::string("~/bin/") |
Definition at line 1095 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_MACHINE003 XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MACHINE003") |
Definition at line 1096 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_MACHINE004 std::string("") |
Definition at line 1100 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_MACHINE004 XHOST.adefault.getattachedscheme("MPI_OPTIONS_MACHINE004") |
Definition at line 1101 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_MACHINE004 std::string("mpirun --mca pml ob1 --mca btl_ofi_mode 2 -np") |
Definition at line 1102 of file aflow_aflowrc.h.
| #define MPI_COMMAND_MACHINE004 XHOST.adefault.getattachedscheme("MPI_COMMAND_MACHINE004") |
Definition at line 1103 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_MACHINE004 std::string("~/bin/") |
Definition at line 1104 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_MACHINE004 XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MACHINE004") |
Definition at line 1105 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_MPCDF_EOS std::string("ulimit -s unlimited ") |
Definition at line 1108 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_MPCDF_EOS XHOST.adefault.getattachedscheme("MPI_OPTIONS_MPCDF_EOS") |
Definition at line 1109 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_MPCDF_EOS std::string("/usr/bin/srun -n") |
Definition at line 1110 of file aflow_aflowrc.h.
| #define MPI_COMMAND_MPCDF_EOS XHOST.adefault.getattachedscheme("MPI_COMMAND_MPCDF_EOS") |
Definition at line 1111 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_NCPUS_MPCDF_EOS 32 |
Definition at line 1112 of file aflow_aflowrc.h.
| #define MPI_NCPUS_MPCDF_EOS XHOST.adefault.getattachedutype<int>("MPI_NCPUS_MPCDF_EOS") |
Definition at line 1113 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_HYPERTHREADING_MPCDF_EOS std::string("NEGLECT") |
Definition at line 1114 of file aflow_aflowrc.h.
| #define MPI_HYPERTHREADING_MPCDF_EOS XHOST.adefault.getattachedscheme("MPI_HYPERTHREADING_MPCDF_EOS") |
Definition at line 1115 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_MPCDF_EOS std::string("~/bin/") |
Definition at line 1116 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_MPCDF_EOS XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MPCDF_EOS") |
Definition at line 1117 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_MPCDF_DRACO std::string("ulimit -s unlimited ") |
Definition at line 1119 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_MPCDF_DRACO XHOST.adefault.getattachedscheme("MPI_OPTIONS_MPCDF_DRACO") |
Definition at line 1120 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_MPCDF_DRACO std::string("/usr/bin/srun -n") |
Definition at line 1121 of file aflow_aflowrc.h.
| #define MPI_COMMAND_MPCDF_DRACO XHOST.adefault.getattachedscheme("MPI_COMMAND_MPCDF_DRACO") |
Definition at line 1122 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_NCPUS_MPCDF_DRACO 0 |
Definition at line 1123 of file aflow_aflowrc.h.
| #define MPI_NCPUS_MPCDF_DRACO XHOST.adefault.getattachedutype<int>("MPI_NCPUS_MPCDF_DRACO") |
Definition at line 1124 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_HYPERTHREADING_MPCDF_DRACO std::string("OFF") |
Definition at line 1125 of file aflow_aflowrc.h.
| #define MPI_HYPERTHREADING_MPCDF_DRACO XHOST.adefault.getattachedscheme("MPI_HYPERTHREADING_MPCDF_DRACO") |
Definition at line 1126 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_MPCDF_DRACO std::string("~/bin/") |
Definition at line 1127 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_MPCDF_DRACO XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MPCDF_DRACO") |
Definition at line 1128 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_MPCDF_COBRA std::string("ulimit -s unlimited ") |
Definition at line 1130 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_MPCDF_COBRA XHOST.adefault.getattachedscheme("MPI_OPTIONS_MPCDF_COBRA") |
Definition at line 1131 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_MPCDF_COBRA std::string("/usr/bin/srun -n") |
Definition at line 1132 of file aflow_aflowrc.h.
| #define MPI_COMMAND_MPCDF_COBRA XHOST.adefault.getattachedscheme("MPI_COMMAND_MPCDF_COBRA") |
Definition at line 1133 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_NCPUS_MPCDF_COBRA 0 |
Definition at line 1134 of file aflow_aflowrc.h.
| #define MPI_NCPUS_MPCDF_COBRA XHOST.adefault.getattachedutype<int>("MPI_NCPUS_MPCDF_COBRA") |
Definition at line 1135 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_HYPERTHREADING_MPCDF_COBRA std::string("OFF") |
Definition at line 1136 of file aflow_aflowrc.h.
| #define MPI_HYPERTHREADING_MPCDF_COBRA XHOST.adefault.getattachedscheme("MPI_HYPERTHREADING_MPCDF_COBRA") |
Definition at line 1137 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_MPCDF_COBRA std::string("~/bin/") |
Definition at line 1138 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_MPCDF_COBRA XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MPCDF_COBRA") |
Definition at line 1139 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_MPCDF_HYDRA std::string("ulimit -s unlimited ") |
Definition at line 1141 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_MPCDF_HYDRA XHOST.adefault.getattachedscheme("MPI_OPTIONS_MPCDF_HYDRA") |
Definition at line 1142 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_MPCDF_HYDRA std::string("poe ") |
Definition at line 1143 of file aflow_aflowrc.h.
| #define MPI_COMMAND_MPCDF_HYDRA XHOST.adefault.getattachedscheme("MPI_COMMAND_MPCDF_HYDRA") |
Definition at line 1144 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_NCPUS_MPCDF_HYDRA 0 |
Definition at line 1145 of file aflow_aflowrc.h.
| #define MPI_NCPUS_MPCDF_HYDRA XHOST.adefault.getattachedutype<int>("MPI_NCPUS_MPCDF_HYDRA") |
Definition at line 1146 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_HYPERTHREADING_MPCDF_HYDRA std::string("OFF") |
Definition at line 1147 of file aflow_aflowrc.h.
| #define MPI_HYPERTHREADING_MPCDF_HYDRA XHOST.adefault.getattachedscheme("MPI_HYPERTHREADING_MPCDF_HYDRA") |
Definition at line 1148 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_MPCDF_HYDRA std::string("~/bin/") |
Definition at line 1149 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_MPCDF_HYDRA XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MPCDF_HYDRA") |
Definition at line 1150 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_FULTON_MARYLOU std::string("export OMP_NUM_THREADS=$SLURM_CPUS_ON_NODE") |
Definition at line 1153 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_FULTON_MARYLOU XHOST.adefault.getattachedscheme("MPI_OPTIONS_FULTON_MARYLOU") |
Definition at line 1155 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_FULTON_MARYLOU std::string("srun ") |
Definition at line 1156 of file aflow_aflowrc.h.
| #define MPI_COMMAND_FULTON_MARYLOU XHOST.adefault.getattachedscheme("MPI_COMMAND_FULTON_MARYLOU") |
Definition at line 1159 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_FULTON_MARYLOU std::string("/fslgroup/fslg_datamining/bin/") |
Definition at line 1160 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_FULTON_MARYLOU XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_FULTON_MARYLOU") |
Definition at line 1161 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_CMU_EULER std::string("") |
Definition at line 1164 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_CMU_EULER XHOST.adefault.getattachedscheme("MPI_OPTIONS_CMU_EULER") |
Definition at line 1165 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_CMU_EULER std::string("mpirun -np") |
Definition at line 1166 of file aflow_aflowrc.h.
| #define MPI_COMMAND_CMU_EULER XHOST.adefault.getattachedscheme("MPI_COMMAND_CMU_EULER") |
Definition at line 1167 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_CMU_EULER std::string("/home/Tools/bin/") |
Definition at line 1168 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_CMU_EULER XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_CMU_EULER") |
Definition at line 1169 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_MACHINE1 std::string("") |
Definition at line 1172 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_MACHINE1 XHOST.adefault.getattachedscheme("MPI_OPTIONS_MACHINE1") |
Definition at line 1173 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_MACHINE1 std::string("...something ...") |
Definition at line 1174 of file aflow_aflowrc.h.
| #define MPI_COMMAND_MACHINE1 XHOST.adefault.getattachedscheme("MPI_COMMAND_MACHINE1") |
Definition at line 1175 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_MACHINE1 std::string("/somewhere/") |
Definition at line 1176 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_MACHINE1 XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MACHINE1") |
Definition at line 1177 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_OPTIONS_MACHINE2 std::string("") |
Definition at line 1179 of file aflow_aflowrc.h.
| #define MPI_OPTIONS_MACHINE2 XHOST.adefault.getattachedscheme("MPI_OPTIONS_MACHINE2") |
Definition at line 1180 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_COMMAND_MACHINE2 std::string("stub not used") |
Definition at line 1181 of file aflow_aflowrc.h.
| #define MPI_COMMAND_MACHINE2 XHOST.adefault.getattachedscheme("MPI_COMMAND_MACHINE2") |
Definition at line 1182 of file aflow_aflowrc.h.
| #define AFLOWRC_MPI_BINARY_DIR_MACHINE2 std::string("/home/aflow/bin/") |
Definition at line 1183 of file aflow_aflowrc.h.
| #define MPI_BINARY_DIR_MACHINE2 XHOST.adefault.getattachedscheme("MPI_BINARY_DIR_MACHINE2") |
Definition at line 1184 of file aflow_aflowrc.h.
1.13.2