#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 734 of file global.h.

Field Documentation

◆ calc_opts

double calc_opts[24]

Definition at line 747 of file global.h.

◆ calc_type

int calc_type

Definition at line 736 of file global.h.

◆ default_opts

double default_opts[17]

Definition at line 746 of file global.h.

◆ dummies

int dummies

Definition at line 744 of file global.h.

◆ dummy

dummy_atom* dummy

Definition at line 745 of file global.h.

◆ elec_thermostat

thermostat* elec_thermostat

Definition at line 740 of file global.h.

◆ fixat

int fixat

Definition at line 741 of file global.h.

◆ fixcoord

int** fixcoord

Definition at line 743 of file global.h.

◆ fixlist

int* fixlist

Definition at line 742 of file global.h.

◆ info

gchar* info

Definition at line 749 of file global.h.

◆ ions_thermostat

thermostat* ions_thermostat

Definition at line 739 of file global.h.

◆ pp

int** pp

Definition at line 748 of file global.h.

◆ restart

int restart[10]

Definition at line 737 of file global.h.

◆ thermostats

int thermostats

Definition at line 738 of file global.h.

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

global.h

Data Fields