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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

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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.

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

• abinitplugin.c

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