atomes 1.1.16
atomes: an atomic scale modeling tool box
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classical_field Struct Reference

#include <global.h>

+ Collaboration diagram for classical_field:

Data Fields

gboolean prepare_file [2]
 
gboolean afp [MAXDATC+MAXDATA]
 
int type
 
int energy_unit
 
int atom_init
 
int molecules
 
struct field_moleculefirst_molecule
 
int nbody [5]
 
struct field_nth_bodyfirst_body [5]
 
double *** cross
 
int extern_fields
 
struct field_externalfirst_external
 
double * sys_opts
 
double * io_opts
 
double * ana_opts
 
double * elec_opts
 
double * vdw_opts
 
double * met_opts
 
double * equi_opts
 
int ensemble
 
int thermostat
 
double * thermo_opts
 
double * md_opts
 
double * out_opts
 

Detailed Description

Definition at line 701 of file global.h.

Field Documentation

◆ afp

gboolean afp[MAXDATC+MAXDATA]

Definition at line 705 of file global.h.

◆ ana_opts

double* ana_opts

Definition at line 721 of file global.h.

◆ atom_init

int atom_init

Definition at line 708 of file global.h.

◆ cross

double*** cross

Tersoff potential cross termms

Definition at line 714 of file global.h.

◆ elec_opts

double* elec_opts

Definition at line 722 of file global.h.

◆ energy_unit

int energy_unit

Definition at line 707 of file global.h.

◆ ensemble

int ensemble

Definition at line 726 of file global.h.

◆ equi_opts

double* equi_opts

Definition at line 725 of file global.h.

◆ extern_fields

int extern_fields

Definition at line 715 of file global.h.

◆ first_body

struct field_nth_body* first_body[5]

Definition at line 712 of file global.h.

◆ first_external

struct field_external* first_external

Definition at line 716 of file global.h.

◆ first_molecule

struct field_molecule* first_molecule

Definition at line 710 of file global.h.

◆ io_opts

double* io_opts

Definition at line 720 of file global.h.

◆ md_opts

double* md_opts

Definition at line 729 of file global.h.

◆ met_opts

double* met_opts

Definition at line 724 of file global.h.

◆ molecules

int molecules

Definition at line 709 of file global.h.

◆ nbody

int nbody[5]

Definition at line 711 of file global.h.

◆ out_opts

double* out_opts

Definition at line 730 of file global.h.

◆ prepare_file

gboolean prepare_file[2]

Definition at line 703 of file global.h.

◆ sys_opts

double* sys_opts

Definition at line 719 of file global.h.

◆ thermo_opts

double* thermo_opts

Definition at line 728 of file global.h.

◆ thermostat

Definition at line 727 of file global.h.

◆ type

int type

Definition at line 706 of file global.h.

◆ vdw_opts

double* vdw_opts

Definition at line 723 of file global.h.


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