atomes 1.3.1
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 779 of file global.h.

Field Documentation

◆ afp

gboolean afp[MAXDATC+MAXDATA]

Definition at line 783 of file global.h.

◆ ana_opts

double* ana_opts

Definition at line 799 of file global.h.

◆ atom_init

int atom_init

Definition at line 786 of file global.h.

◆ cross

double*** cross

Tersoff potential cross terms

Definition at line 792 of file global.h.

◆ elec_opts

double* elec_opts

Definition at line 800 of file global.h.

◆ energy_unit

int energy_unit

Definition at line 785 of file global.h.

◆ ensemble

int ensemble

Definition at line 804 of file global.h.

◆ equi_opts

double* equi_opts

Definition at line 803 of file global.h.

◆ extern_fields

int extern_fields

Definition at line 793 of file global.h.

◆ first_body

struct field_nth_body* first_body[5]

Definition at line 790 of file global.h.

◆ first_external

struct field_external* first_external

Definition at line 794 of file global.h.

◆ first_molecule

struct field_molecule* first_molecule

Definition at line 788 of file global.h.

◆ io_opts

double* io_opts

Definition at line 798 of file global.h.

◆ md_opts

double* md_opts

Definition at line 807 of file global.h.

◆ met_opts

double* met_opts

Definition at line 802 of file global.h.

◆ molecules

int molecules

Definition at line 787 of file global.h.

◆ nbody

int nbody[5]

Definition at line 789 of file global.h.

◆ out_opts

double* out_opts

Definition at line 808 of file global.h.

◆ prepare_file

gboolean prepare_file[2]

Definition at line 781 of file global.h.

◆ sys_opts

double* sys_opts

Definition at line 797 of file global.h.

◆ thermo_opts

double* thermo_opts

Definition at line 806 of file global.h.

◆ thermostat

Definition at line 805 of file global.h.

◆ type

int type

Definition at line 784 of file global.h.

◆ vdw_opts

double* vdw_opts

Definition at line 801 of file global.h.


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