AFLOW V3.1.189

History of new functionality and patches.

AFLOW V3.1.189

Postby coreyoses » Thu May 24, 2018 1:12 pm

2018/05/04 -
Location: http://materials.duke.edu/AFLOW/aflow.3.1.189.tar.xz
Moved these defaults from aflow.h to aflow_aflowrc.cpp for user tuning (SC)
#define DEFAULT_AFLOW_PRESCRIPT_OUT string("aflow.prescript.out")
#define DEFAULT_AFLOW_PRESCRIPT_COMMAND string("aflow.prescript.command")
#define DEFAULT_AFLOW_POSTSCRIPT_OUT string("aflow.postscript.out")
#define DEFAULT_AFLOW_POSTSCRIPT_COMMAND string("aflow.postscript.command")
#define DEFAULT_AFLOW_PGROUP_OUT string("aflow.pgroup.out")
#define DEFAULT_AFLOW_PGROUP_XTAL_OUT string("aflow.pgroup_xtal.out")
#define DEFAULT_AFLOW_PGROUPK_OUT string("aflow.pgroupk.out")
#define DEFAULT_AFLOW_PGROUPK_XTAL_OUT string("aflow.pgroupk_xtal.out")
#define DEFAULT_AFLOW_FGROUP_OUT string("aflow.fgroup.out")
#define DEFAULT_AFLOW_SGROUP_OUT string("aflow.sgroup.out")
#define DEFAULT_AFLOW_AGROUP_OUT string("aflow.agroup.out")
#define DEFAULT_AFLOW_IATOMS_OUT string("aflow.iatoms.out")
#define DEFAULT_AFLOW_PGROUP_JSON string("aflow.pgroup.json")
#define DEFAULT_AFLOW_PGROUP_XTAL_JSON string("aflow.pgroup_xtal.json")
#define DEFAULT_AFLOW_PGROUPK_JSON string("aflow.pgroupk.json")
#define DEFAULT_AFLOW_PGROUPK_XTAL_JSON string("aflow.pgroupk_xtal.json")
#define DEFAULT_AFLOW_FGROUP_JSON string("aflow.fgroup.json")
#define DEFAULT_AFLOW_SGROUP_JSON string("aflow.sgroup.json")
#define DEFAULT_AFLOW_AGROUP_JSON string("aflow.agroup.json")
#define DEFAULT_AFLOW_IATOMS_JSON string("aflow.iatoms.json")
#define DEFAULT_AFLOW_ICAGES_OUT string("aflow.icages.out")
#define DEFAULT_AFLOW_SURFACE_OUT string("aflow.surface.out")
#define DEFAULT_AFLOW_QMVASP_OUT string("aflow.qmvasp.out")
#define DEFAULT_AFLOW_ERVASP_OUT string("aflow.error.out")
#define DEFAULT_AFLOW_IMMISCIBILITY_OUT string("aflow.immiscibility.out")
#define DEFAULT_AFLOW_MEMORY_OUT string("aflow.memory.out")
#define DEFAULT_AFLOW_FROZSL_INPUT_OUT string("aflow.frozsl_input.out")
#define DEFAULT_AFLOW_FROZSL_POSCAR_OUT string("aflow.frozsl_poscar.out")
#define DEFAULT_AFLOW_FROZSL_MODES_OUT string("aflow.frozsl_energies.out")
#define DEFAULT_AFLOW_FROZSL_EIGEN_OUT string("aflow.frozsl_eigen.out")
#define DEFAULT_AFLOW_END_OUT string("aflow.end.out")
Corey Oses
AFLOW Developer
coreyoses
 
Posts: 106
Joined: Wed May 31, 2017 2:23 pm

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