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cpmdplugin.c File Reference

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

Go to the source code of this file.

Compounds

struct  cpmddata

Functions

void * open_cpmd_read (const char *filename, const char *filetype, int *natoms)
int read_cpmd_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int read_cpmd_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
void close_cpmd_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 cpmdplugin


Function Documentation

void close_cpmd_read void *    mydata [static]
 

Definition at line 164 of file cpmdplugin.c.

References cpmddata::file.

void* open_cpmd_read const char *    filename,
const char *    filetype,
int *    natoms
[static]
 

Definition at line 31 of file cpmdplugin.c.

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

int read_cpmd_structure void *    mydata,
int *    optflags,
molfile_atom_t   atoms
[static]
 

Definition at line 83 of file cpmdplugin.c.

References molfile_atom_t::chain, cpmddata::file, cpmddata::file_name, MOLFILE_ERROR, MOLFILE_NOOPTIONS, MOLFILE_SUCCESS, molfile_atom_t::name, cpmddata::numatoms, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, and molfile_atom_t::type.

int read_cpmd_timestep void *    mydata,
int    natoms,
molfile_timestep_t   ts
[static]
 

Definition at line 123 of file cpmdplugin.c.

References molfile_timestep_t::coords, cpmddata::file, cpmddata::file_name, MOLFILE_ERROR, and MOLFILE_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_fini void   
 

Definition at line 207 of file cpmdplugin.c.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init void   
 

Definition at line 198 of file cpmdplugin.c.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_register void *    v,
vmdplugin_register_cb    cb
 

Definition at line 202 of file cpmdplugin.c.

References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.


Variable Documentation

molfile_plugin_t cpmdplugin [static]
 

Initial value:

 {
  vmdplugin_ABIVERSION,
  MOLFILE_PLUGIN_TYPE,                         
  "cpmd",                                      
  "CPMD",                                      
  "Axel Kohlmeyer, John E. Stone",             
  0,                                           
  3,                                           
  VMDPLUGIN_THREADSAFE,                        
  "cpmd",
  open_cpmd_read,

  0,
  0,
  read_cpmd_timestep,
  close_cpmd_read,

  0,
  0,

  0,

  0
}

Definition at line 173 of file cpmdplugin.c.


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