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lammpsplugin.c File Reference

#include "largefiles.h"
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <ctype.h>
#include <math.h>
#include "molfile_plugin.h"

Go to the source code of this file.

Compounds

struct  lammpsdata

Defines

#define M_PI_2   1.57079632679489661922

Functions

void * open_lammps_read (const char *filename, const char *filetype, int *natoms)
int read_lammps_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
void close_lammps_read (void *mydata)
VMDPLUGIN_API int VMDPLUGIN_init ()
VMDPLUGIN_API int VMDPLUGIN_register (void *v, vmdplugin_register_cb cb)
VMDPLUGIN_API int VMDPLUGIN_fini ()

Variables

molfile_plugin_t lammpsplugin

Define Documentation

#define M_PI_2   1.57079632679489661922
 

Definition at line 44 of file lammpsplugin.c.

Referenced by read_lammps_timestep.

Function Documentation

void close_lammps_read (  void *    mydata )  [static]
 

Definition at line 157 of file lammpsplugin.c.

References lammpsdata::file, and lammpsdata::file_name.

void* open_lammps_read (  const char *    filename,
const char *    filetype,
int *    natoms
)  [static]
 

Definition at line 54 of file lammpsplugin.c.

References lammpsdata::file, lammpsdata::file_name, and lammpsdata::numatoms.

int read_lammps_timestep (  void *    mydata,
int    natoms,
molfile_timestep_t *    ts
)  [static]
 

Definition at line 85 of file lammpsplugin.c.

References molfile_timestep_t::A, molfile_timestep_t::alpha, molfile_timestep_t::B, molfile_timestep_t::beta, molfile_timestep_t::C, molfile_timestep_t::coords, lammpsdata::file, lammpsdata::file_name, molfile_timestep_t::gamma, M_PI_2, MOLFILE_ERROR, and MOLFILE_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    ) 
 

Definition at line 199 of file lammpsplugin.c.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    ) 
 

Definition at line 190 of file lammpsplugin.c.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v,
vmdplugin_register_cb    cb
) 
 

Definition at line 194 of file lammpsplugin.c.

References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

Variable Documentation

molfile_plugin_t lammpsplugin [static]
 

Initial value:

 {
  vmdplugin_ABIVERSION,
  MOLFILE_PLUGIN_TYPE,                         
  "lammpstrj",                                 
  "LAMMPS Trajectory",                         
  "John E. Stone",                             
  0,                                           
  3,                                           
  VMDPLUGIN_THREADSAFE,                        
  "lammpstrj",
  open_lammps_read,
  0,
  0,
  read_lammps_timestep,
  close_lammps_read,
  0,                            
  0,
  0,
  0,
  0,                            
  0,                            
  0                             
}

Definition at line 166 of file lammpsplugin.c.

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