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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

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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.

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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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