cpmd Directory Reference

Directory dependency graph for cpmd:

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.