Class LoadFile¶
Defined in File loadfile.h
Class Documentation¶
-
class LoadFile¶
Class for loading quantum chemistry output files.
This class provides functionality to read and parse various quantum chemistry output file formats including Gaussian, ORCA, CP2K, GAMESS-US, NWChem, Q-Chem, and XTB. All data is loaded into a SystemData structure to maintain modularity.
Public Static Functions
-
static void loadotm(SystemData &sys)¶
-
static void loadgau(SystemData &sys)¶
-
static void loadCP2K(SystemData &sys)¶
-
static void loadorca(SystemData &sys)¶
-
static void loadgms(SystemData &sys)¶
-
static void loadnw(SystemData &sys)¶
-
static void loadxtb(SystemData &sys)¶
-
static void loadvasp(SystemData &sys)¶
-
static void loadqchem(SystemData &sys)¶
-
static void loadotm(SystemData &sys)¶