#include <global.h>

Collaboration diagram for cpmd:

Data Fields
int	calc_type
int	restart [10]
int	thermostats
thermostat *	ions_thermostat
thermostat *	elec_thermostat
int	fixat
int *	fixlist
int **	fixcoord
int	dummies
dummy_atom *	dummy
double	default_opts [17]
double	calc_opts [24]
int **	pp
gchar *	info

Detailed Description

Definition at line 848 of file global.h.

Field Documentation

◆ calc_opts

double calc_opts[24]

Definition at line 861 of file global.h.

◆ calc_type

int calc_type

Definition at line 850 of file global.h.

◆ default_opts

double default_opts[17]

Definition at line 860 of file global.h.

◆ dummies

int dummies

Definition at line 858 of file global.h.

◆ dummy

dummy_atom* dummy

Definition at line 859 of file global.h.

◆ elec_thermostat

thermostat* elec_thermostat

Definition at line 854 of file global.h.

◆ fixat

int fixat

Definition at line 855 of file global.h.

◆ fixcoord

int** fixcoord

Definition at line 857 of file global.h.

◆ fixlist

int* fixlist

Definition at line 856 of file global.h.

◆ info

gchar* info

Definition at line 863 of file global.h.

◆ ions_thermostat

thermostat* ions_thermostat

Definition at line 853 of file global.h.

◆ pp

int** pp

Definition at line 862 of file global.h.

◆ restart

int restart[10]

Definition at line 851 of file global.h.

◆ thermostats

int thermostats

Definition at line 852 of file global.h.

The documentation for this struct was generated from the following file:

global.h

Data Fields