atomes 1.1.14
atomes: an atomic scale modeling tool box
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Files | |
cpmd.h | |
Variable declarations for the creation of the CPMD input file. | |
cpmd_atoms.c | |
Functions to handle dummy atom(s) for the CPMD input file. | |
cpmd_init.c | |
Functions to initialize the QM / QM-MM input file creation assistant. | |
cpmd_nose.c | |
Functions to prepare the thermostat(s) configuration widgets for QM / QM-MM input files. | |
cpmd_print.c | |
Functions to print the CPMD input file(s) | |
cpmd_restart.c | |
Functions to configure the restart section for the CPMD input file creation assistant. | |