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vasp_plugindata_t Struct Reference

#include <vaspplugin.h>

List of all members.

Public Attributes

FILE * file
char * filename
char * titleline
int version
int numatoms
int eachatom [MAXATOMTYPES]
molfile_atom_tatomlist
float cell [3][3]
float rotmat [3][3]
int nvolsets
molfile_volumetric_tvol


Member Data Documentation

molfile_atom_t* vasp_plugindata_t::atomlist
 

Definition at line 32 of file vaspplugin.h.

Referenced by vasp_plugindata_free, vasp_plugindata_malloc, write_vaspposcar_structure, and write_vaspposcar_timestep.

float vasp_plugindata_t::cell[3][3]
 

Definition at line 34 of file vaspplugin.h.

Referenced by open_vaspchgcar_read, open_vaspoutcar_read, open_vaspparchg_read, open_vaspxdatcar_read, open_vaspxml_read, read_vasp5xdatcar_structure, read_vasp5xdatcar_timestep, read_vaspchgcar_data, read_vaspchgcar_metadata, read_vaspparchg_data, read_vaspparchg_metadata, read_vaspposcar_timestep, read_vaspxdatcar_timestep, read_vaspxml_timestep, vasp_buildrotmat, and vasp_timestep_unitcell.

int vasp_plugindata_t::eachatom[MAXATOMTYPES]
 

Definition at line 31 of file vaspplugin.h.

Referenced by open_vasp5xdatcar_read, open_vaspchgcar_read, open_vaspparchg_read, open_vaspposcar_read, open_vaspxdatcar_read, read_vasp5xdatcar_structure, read_vaspoutcar_structure, read_vaspposcar_structure, and read_vaspxdatcar_structure.

FILE* vasp_plugindata_t::file
 

Definition at line 26 of file vaspplugin.h.

Referenced by open_vasp5xdatcar_read, open_vaspchgcar_read, open_vaspoutcar_read, open_vaspparchg_read, open_vaspposcar_read, open_vaspposcar_write, open_vaspxdatcar_read, open_vaspxml_read, read_vasp5xdatcar_structure, read_vasp5xdatcar_timestep, read_vaspchgcar_data, read_vaspchgcar_metadata, read_vaspoutcar_structure, read_vaspoutcar_timestep, read_vaspparchg_data, read_vaspparchg_metadata, read_vaspposcar_structure, read_vaspposcar_timestep, read_vaspxdatcar_structure, read_vaspxdatcar_timestep, read_vaspxml_structure, read_vaspxml_timestep, vasp_plugindata_free, vasp_plugindata_malloc, and write_vaspposcar_timestep.

char* vasp_plugindata_t::filename
 

Definition at line 27 of file vaspplugin.h.

Referenced by open_vasp5xdatcar_read, open_vaspchgcar_read, open_vaspoutcar_read, open_vaspparchg_read, open_vaspposcar_read, open_vaspposcar_write, open_vaspxdatcar_read, open_vaspxml_read, read_vasp5xdatcar_structure, read_vasp5xdatcar_timestep, read_vaspchgcar_data, read_vaspchgcar_metadata, read_vaspoutcar_structure, read_vaspparchg_data, read_vaspparchg_metadata, read_vaspposcar_structure, read_vaspposcar_timestep, read_vaspxdatcar_structure, read_vaspxml_structure, vasp_plugindata_free, and vasp_plugindata_malloc.

int vasp_plugindata_t::numatoms
 

Definition at line 30 of file vaspplugin.h.

Referenced by open_vasp5xdatcar_read, open_vaspchgcar_read, open_vaspoutcar_read, open_vaspparchg_read, open_vaspposcar_read, open_vaspposcar_write, open_vaspxdatcar_read, open_vaspxml_read, read_vasp5xdatcar_structure, read_vasp5xdatcar_timestep, read_vaspchgcar_data, read_vaspoutcar_structure, read_vaspoutcar_timestep, read_vaspparchg_data, read_vaspposcar_structure, read_vaspposcar_timestep, read_vaspxdatcar_structure, read_vaspxdatcar_timestep, read_vaspxml_structure, read_vaspxml_timestep, write_vaspposcar_structure, and write_vaspposcar_timestep.

int vasp_plugindata_t::nvolsets
 

Definition at line 38 of file vaspplugin.h.

Referenced by read_vaspchgcar_data, read_vaspchgcar_metadata, read_vaspparchg_data, and read_vaspparchg_metadata.

float vasp_plugindata_t::rotmat[3][3]
 

Definition at line 35 of file vaspplugin.h.

Referenced by read_vasp5xdatcar_timestep, read_vaspchgcar_metadata, read_vaspoutcar_timestep, read_vaspparchg_metadata, read_vaspposcar_timestep, read_vaspxdatcar_timestep, read_vaspxml_timestep, and vasp_buildrotmat.

char* vasp_plugindata_t::titleline
 

Definition at line 28 of file vaspplugin.h.

Referenced by open_vasp5xdatcar_read, open_vaspchgcar_read, open_vaspparchg_read, open_vaspposcar_read, open_vaspxdatcar_read, open_vaspxml_read, read_vasp5xdatcar_structure, read_vaspposcar_structure, read_vaspxdatcar_structure, vasp_plugindata_free, and vasp_plugindata_malloc.

int vasp_plugindata_t::version
 

Definition at line 29 of file vaspplugin.h.

Referenced by open_vasp5xdatcar_read, open_vaspchgcar_read, open_vaspparchg_read, open_vaspposcar_read, open_vaspxdatcar_read, read_vaspchgcar_data, read_vaspparchg_data, read_vaspposcar_structure, read_vaspposcar_timestep, and read_vaspxdatcar_structure.

molfile_volumetric_t* vasp_plugindata_t::vol
 

Definition at line 39 of file vaspplugin.h.

Referenced by read_vaspchgcar_data, read_vaspchgcar_metadata, read_vaspparchg_data, read_vaspparchg_metadata, vasp_plugindata_free, and vasp_plugindata_malloc.


The documentation for this struct was generated from the following file:
Generated on Sat Aug 15 03:07:21 2020 for VMD Plugins (current) by doxygen1.2.14 written by Dimitri van Heesch, © 1997-2002