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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

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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.

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Variable Documentation

molfile_plugin_t plugin [static]

Definition at line 310 of file vaspchgcarplugin.c.

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