#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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Definition at line 164 of file cpmdplugin.c. References cpmddata::file. |
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Definition at line 31 of file cpmdplugin.c. References cpmddata::file, cpmddata::file_name, and cpmddata::numatoms. |
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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. |
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Definition at line 123 of file cpmdplugin.c. References molfile_timestep_t::coords, cpmddata::file, cpmddata::file_name, MOLFILE_ERROR, and MOLFILE_SUCCESS. |
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Definition at line 207 of file cpmdplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Definition at line 198 of file cpmdplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Definition at line 202 of file cpmdplugin.c. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS. |
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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. |