#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include "molfile_plugin.h"
#include "vaspplugin.h"
#include "periodic_table.h"
Go to the source code of this file.
Functions | |
void * | open_vaspxdatcar_read (const char *filename, const char *filetype, int *natoms) |
int | read_vaspxdatcar_structure (void *mydata, int *optflags, molfile_atom_t *atoms) |
int | read_vaspxdatcar_timestep (void *mydata, int natoms, molfile_timestep_t *ts) |
void | close_vaspxdatcar_read (void *mydata) |
int | VMDPLUGIN_init () |
int | VMDPLUGIN_register (void *v, vmdplugin_register_cb cb) |
int | VMDPLUGIN_fini () |
Variables | |
molfile_plugin_t | plugin |
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Definition at line 286 of file vaspxdatcarplugin.c. References vasp_plugindata_free. Referenced by VMDPLUGIN_init. |
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Definition at line 38 of file vaspxdatcarplugin.c. References vasp_plugindata_t::cell, vasp_plugindata_t::eachatom, vasp_plugindata_t::file, vasp_plugindata_t::filename, MAXATOMTYPES, MOLFILE_NUMATOMS_UNKNOWN, vasp_plugindata_t::numatoms, vasp_plugindata_t::titleline, vasp_buildrotmat, vasp_plugindata_free, vasp_plugindata_malloc, and vasp_plugindata_t::version. Referenced by VMDPLUGIN_init. |
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Definition at line 253 of file vaspxdatcarplugin.c. References vasp_plugindata_t::cell, molfile_timestep_t::coords, vasp_plugindata_t::file, MOLFILE_EOF, vasp_plugindata_t::numatoms, vasp_plugindata_t::rotmat, and vasp_timestep_unitcell. Referenced by VMDPLUGIN_init. |
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Definition at line 319 of file vaspxdatcarplugin.c. References VMDPLUGIN_SUCCESS. |
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Definition at line 314 of file vaspxdatcarplugin.c. References vmdplugin_register_cb, and VMDPLUGIN_SUCCESS. |
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Definition at line 294 of file vaspxdatcarplugin.c. |