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vaspchgcarplugin.c File Reference

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

Go to the source code of this file.

Functions

void * open_vaspchgcar_read (const char *filename, const char *filetype, int *natoms)
int read_vaspchgcar_metadata (void *mydata, int *nvolsets, molfile_volumetric_t **metadata)
int read_vaspchgcar_data (void *mydata, int set, float *datablock, float *colorblock)
void close_vaspchgcar_read (void *mydata)
int VMDPLUGIN_init (void)
int VMDPLUGIN_fini (void)
int VMDPLUGIN_register (void *v, vmdplugin_register_cb cb)

Variables

molfile_plugin_t plugin


Function Documentation

void close_vaspchgcar_read void *    mydata [static]
 

Definition at line 302 of file vaspchgcarplugin.c.

References vasp_plugindata_free.

Referenced by VMDPLUGIN_init.

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

Definition at line 39 of file vaspchgcarplugin.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.

int read_vaspchgcar_data void *    mydata,
int    set,
float *    datablock,
float *    colorblock
[static]
 

Definition at line 201 of file vaspchgcarplugin.c.

References vasp_plugindata_t::cell, molfile_volumetric_t::dataname, vasp_plugindata_t::file, vasp_plugindata_t::filename, MOLFILE_ERROR, vasp_plugindata_t::numatoms, vasp_plugindata_t::nvolsets, vasp_plugindata_t::version, vasp_plugindata_t::vol, molfile_volumetric_t::xsize, molfile_volumetric_t::ysize, and molfile_volumetric_t::zsize.

Referenced by VMDPLUGIN_init.

int read_vaspchgcar_metadata void *    mydata,
int *    nvolsets,
molfile_volumetric_t **    metadata
[static]
 

Definition at line 134 of file vaspchgcarplugin.c.

References vasp_plugindata_t::cell, molfile_volumetric_t::dataname, vasp_plugindata_t::file, vasp_plugindata_t::filename, molfile_volumetric_t::has_color, MOLFILE_ERROR, vasp_plugindata_t::nvolsets, molfile_volumetric_t::origin, vasp_plugindata_t::rotmat, vasp_plugindata_t::vol, molfile_volumetric_t::xaxis, molfile_volumetric_t::xsize, molfile_volumetric_t::yaxis, molfile_volumetric_t::ysize, molfile_volumetric_t::zaxis, and molfile_volumetric_t::zsize.

Referenced by VMDPLUGIN_init.

int VMDPLUGIN_fini void   
 

Definition at line 330 of file vaspchgcarplugin.c.

References VMDPLUGIN_SUCCESS.

int VMDPLUGIN_init void   
 

Definition at line 312 of file vaspchgcarplugin.c.

References molfile_plugin_t::close_file_read, close_vaspchgcar_read, molfile_plugin_t::filename_extension, MOLFILE_PLUGIN_TYPE, molfile_plugin_t::open_file_read, open_vaspchgcar_read, read_vaspchgcar_data, read_vaspchgcar_metadata, molfile_plugin_t::read_volumetric_data, molfile_plugin_t::read_volumetric_metadata, vmdplugin_ABIVERSION, VMDPLUGIN_SUCCESS, and VMDPLUGIN_THREADUNSAFE.

int VMDPLUGIN_register void *    v,
vmdplugin_register_cb    cb
 

Definition at line 334 of file vaspchgcarplugin.c.

References vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.


Variable Documentation

molfile_plugin_t plugin [static]
 

Definition at line 310 of file vaspchgcarplugin.c.


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