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abinit_binary_header_t Struct Reference

List of all members.

Public Attributes

binary_t bintype
char codvsn [7]
int headform
int fform
int bantot
int date
int intxc
int ixc
int natom
int ngfft [3]
int nkpt
int npsp
int nspden
int nspinor
int nsppol
int nsym
int ntypat
int occopt
int pertcase
int usepaw
double ecut
double ecutdg
double ecutsm
double ecut_eff
double qptn [3]
double rprimd [3][3]
double stmbias
double tphysel
double tsmear
int usewvl
int * istwfk
int * nband
int * npwarr
int * so_psp
int * symafm
int * symrel [3][3]
int * typat
double * kpt [3]
double * occ
double * tnons [3]
double * znucltypat
double * wtk
char title [133]
double znuclpsp
double zionpsp
int pspso
int pspdat
int pspcod
int pspxc
int lmn_size
double residm
double * xred [3]
double etotal
double fermie
int cplex

Member Data Documentation

int abinit_binary_header_t::bantot
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header.

binary_t abinit_binary_header_t::bintype
 

Definition at line 90 of file abinitplugin.c.

Referenced by abinit_header, DEN_read_volumetric_data, and POT_read_volumetric_data.

char abinit_binary_header_t::codvsn[7]
 

Definition at line 91 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::cplex
 

Definition at line 105 of file abinitplugin.c.

Referenced by abinit_header, DEN_read_volumetric_data, and POT_read_volumetric_data.

int abinit_binary_header_t::date
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header.

double abinit_binary_header_t::ecut
 

Definition at line 95 of file abinitplugin.c.

Referenced by abinit_header.

double abinit_binary_header_t::ecut_eff
 

Definition at line 95 of file abinitplugin.c.

Referenced by abinit_header.

double abinit_binary_header_t::ecutdg
 

Definition at line 95 of file abinitplugin.c.

Referenced by abinit_header.

double abinit_binary_header_t::ecutsm
 

Definition at line 95 of file abinitplugin.c.

Referenced by abinit_header.

double abinit_binary_header_t::etotal
 

Definition at line 103 of file abinitplugin.c.

Referenced by abinit_header.

double abinit_binary_header_t::fermie
 

Definition at line 103 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::fform
 

Definition at line 92 of file abinitplugin.c.

Referenced by abinit_filetype, and abinit_header.

int abinit_binary_header_t::headform
 

Definition at line 92 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::intxc
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header.

int * abinit_binary_header_t::istwfk
 

Definition at line 96 of file abinitplugin.c.

Referenced by abinit_header, and abinit_header_free.

int abinit_binary_header_t::ixc
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header.

double* abinit_binary_header_t::kpt[3]
 

Definition at line 97 of file abinitplugin.c.

Referenced by abinit_header, and abinit_header_free.

int abinit_binary_header_t::lmn_size
 

Definition at line 101 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::natom
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header, and DEN_POT_WFK_open_file_read.

int * abinit_binary_header_t::nband
 

Definition at line 96 of file abinitplugin.c.

Referenced by abinit_header, and abinit_header_free.

int abinit_binary_header_t::ngfft[3]
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header, DEN_read_volumetric_metadata, and POT_read_volumetric_metadata.

int abinit_binary_header_t::nkpt
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::npsp
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header.

int * abinit_binary_header_t::npwarr
 

Definition at line 96 of file abinitplugin.c.

Referenced by abinit_header, and abinit_header_free.

int abinit_binary_header_t::nspden
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header, DEN_read_volumetric_data, DEN_read_volumetric_metadata, and POT_read_volumetric_metadata.

int abinit_binary_header_t::nspinor
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::nsppol
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::nsym
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::ntypat
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header.

double * abinit_binary_header_t::occ
 

Definition at line 97 of file abinitplugin.c.

Referenced by abinit_header, and abinit_header_free.

int abinit_binary_header_t::occopt
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::pertcase
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::pspcod
 

Definition at line 101 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::pspdat
 

Definition at line 101 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::pspso
 

Definition at line 101 of file abinitplugin.c.

Referenced by abinit_header.

int abinit_binary_header_t::pspxc
 

Definition at line 101 of file abinitplugin.c.

Referenced by abinit_header.

double abinit_binary_header_t::qptn[3]
 

Definition at line 95 of file abinitplugin.c.

Referenced by abinit_header.

double abinit_binary_header_t::residm
 

Definition at line 103 of file abinitplugin.c.

Referenced by abinit_header.

double abinit_binary_header_t::rprimd[3][3]
 

Definition at line 95 of file abinitplugin.c.

Referenced by abinit_header, DEN_POT_WFK_read_next_timestep, DEN_read_volumetric_metadata, and POT_read_volumetric_metadata.

int * abinit_binary_header_t::so_psp
 

Definition at line 96 of file abinitplugin.c.

Referenced by abinit_header, and abinit_header_free.

double abinit_binary_header_t::stmbias
 

Definition at line 95 of file abinitplugin.c.

Referenced by abinit_header.

int * abinit_binary_header_t::symafm
 

Definition at line 96 of file abinitplugin.c.

Referenced by abinit_header, and abinit_header_free.

int * abinit_binary_header_t::symrel[3][3]
 

Definition at line 96 of file abinitplugin.c.

Referenced by abinit_header, and abinit_header_free.

char abinit_binary_header_t::title[133]
 

Definition at line 99 of file abinitplugin.c.

Referenced by abinit_header.

double * abinit_binary_header_t::tnons[3]
 

Definition at line 97 of file abinitplugin.c.

Referenced by abinit_header, and abinit_header_free.

double abinit_binary_header_t::tphysel
 

Definition at line 95 of file abinitplugin.c.

Referenced by abinit_header.

double abinit_binary_header_t::tsmear
 

Definition at line 95 of file abinitplugin.c.

Referenced by abinit_header.

int * abinit_binary_header_t::typat
 

Definition at line 96 of file abinitplugin.c.

Referenced by abinit_header, abinit_header_free, DEN_POT_WFK_open_file_read, and DEN_POT_WFK_read_structure.

int abinit_binary_header_t::usepaw
 

Definition at line 93 of file abinitplugin.c.

Referenced by abinit_header, and DEN_read_volumetric_metadata.

int abinit_binary_header_t::usewvl
 

Definition at line 96 of file abinitplugin.c.

Referenced by abinit_header.

double * abinit_binary_header_t::wtk
 

Definition at line 97 of file abinitplugin.c.

Referenced by abinit_header, and abinit_header_free.

double * abinit_binary_header_t::xred[3]
 

Definition at line 103 of file abinitplugin.c.

Referenced by abinit_header, abinit_header_free, and DEN_POT_WFK_read_next_timestep.

double abinit_binary_header_t::zionpsp
 

Definition at line 100 of file abinitplugin.c.

Referenced by abinit_header.

double abinit_binary_header_t::znuclpsp
 

Definition at line 100 of file abinitplugin.c.

Referenced by abinit_header.

double * abinit_binary_header_t::znucltypat
 

Definition at line 97 of file abinitplugin.c.

Referenced by abinit_header, abinit_header_free, and DEN_POT_WFK_read_structure.


The documentation for this struct was generated from the following file:
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