AUID | xPOTCAR | |
checkClassID(const aurostd::JSON::object &jo) const | JsonSerializable< xPOTCAR > | private |
clear() | xPOTCAR | |
content | xPOTCAR | |
copy(const xPOTCAR &b) | xPOTCAR | private |
deserialize(const aurostd::JSON::object &jo) override | xPOTCAR | protectedvirtual |
dumpJsonMeta() const | JsonSerializable< xPOTCAR > | private |
dumpToFile(const std::filesystem::path &path, aurostd::compression_type compression=aurostd::compression_type::None) const | JsonSerializable< xPOTCAR > | |
dumpToJson() const | JsonSerializable< xPOTCAR > | |
dumpToString() const | JsonSerializable< xPOTCAR > | |
EATOM_max | xPOTCAR | |
EATOM_min | xPOTCAR | |
EAUG_max | xPOTCAR | |
EAUG_min | xPOTCAR | |
ENMAX | xPOTCAR | |
ENMIN | xPOTCAR | |
filename | xPOTCAR | |
free() | xPOTCAR | private |
getJsonID() const override | xPOTCAR | inlineprotectedvirtual |
GetProperties(const std::stringstream &stringstreamIN, bool=true) | xPOTCAR | |
GetProperties(const std::string &stringIN, bool=true) | xPOTCAR | |
GetPropertiesFile(const std::string &fileIN, bool=true) | xPOTCAR | |
GetPropertiesUrlFile(const std::string &url, const std::string &file, bool=true) | xPOTCAR | |
initialize(const std::string &fileIN, std::ostream &oss, bool=true) | xPOTCAR | |
initialize(const std::string &fileIN, std::ofstream &FileMESSAGE, std::ostream &oss, bool=true) | xPOTCAR | |
initialize(const std::string &fileIN, bool=true) | xPOTCAR | |
loadFromFile(const std::filesystem::path &path) | JsonSerializable< xPOTCAR > | static |
loadFromJson(const aurostd::JSON::object &jo) | JsonSerializable< xPOTCAR > | static |
loadFromString(const std::string &content) | JsonSerializable< xPOTCAR > | static |
m_initialized | xPOTCAR | |
operator<<(std::ostream &, const xPOTCAR &) | xPOTCAR | friend |
operator=(const xPOTCAR &b) | xPOTCAR | |
POMASS_max | xPOTCAR | |
POMASS_min | xPOTCAR | |
POMASS_sum | xPOTCAR | |
POTCAR_AE | xPOTCAR | |
POTCAR_GW | xPOTCAR | |
POTCAR_KINETIC | xPOTCAR | |
POTCAR_PAW | xPOTCAR | |
POTCAR_TYPE | xPOTCAR | |
pp_type | xPOTCAR | |
RAUG_max | xPOTCAR | |
RAUG_min | xPOTCAR | |
RCORE_max | xPOTCAR | |
RCORE_min | xPOTCAR | |
RMAX_max | xPOTCAR | |
RMAX_min | xPOTCAR | |
RWIGS_max | xPOTCAR | |
RWIGS_min | xPOTCAR | |
serialize() const override | xPOTCAR | protectedvirtual |
species | xPOTCAR | |
species_pp | xPOTCAR | |
species_pp_AUID | xPOTCAR | |
species_pp_AUID_collisions | xPOTCAR | |
species_pp_groundstate_energy | xPOTCAR | |
species_pp_groundstate_structure | xPOTCAR | |
species_pp_type | xPOTCAR | |
species_pp_version | xPOTCAR | |
species_Z | xPOTCAR | |
title | xPOTCAR | |
vcontent | xPOTCAR | |
vEATOM | xPOTCAR | |
vEAUG | xPOTCAR | |
vENMAX | xPOTCAR | |
vENMIN | xPOTCAR | |
vLEXCH | xPOTCAR | |
vPOMASS | xPOTCAR | |
vRAUG | xPOTCAR | |
vRCORE | xPOTCAR | |
vRMAX | xPOTCAR | |
vRWIGS | xPOTCAR | |
vTITEL | xPOTCAR | |
vZVAL | xPOTCAR | |
xPOTCAR(std::ostream &oss=std::cout) | xPOTCAR | |
xPOTCAR(std::ofstream &FileMESSAGE, std::ostream &oss=std::cout) | xPOTCAR | |
xPOTCAR(const std::string &fileIN, bool=true, std::ostream &oss=std::cout) | xPOTCAR | |
xPOTCAR(const std::string &fileIN, std::ofstream &FileMESSAGE, bool=true, std::ostream &oss=std::cout) | xPOTCAR | |
xPOTCAR(const xPOTCAR &b) | xPOTCAR | |
ZVAL_max | xPOTCAR | |
ZVAL_min | xPOTCAR | |
ZVAL_sum | xPOTCAR | |
~JsonSerializable()=default | JsonSerializable< xPOTCAR > | virtual |
~xPOTCAR() | xPOTCAR | |