pseudo_low.cc File Reference

#include <algorithm>
#include <sys/stat.h>
#include "string_f.h"
#include "fortran_types.h"
#include "base.hpp"
#include "detect_format.hpp"
#include "psml.hpp"
#include "psp8.hpp"
#include "qso.hpp"
#include "upf1.hpp"
#include "upf2.hpp"

Include dependency graph for pseudo_low.cc:

Functions
fint	FC_FUNC_ (pseudo_detect_format, PSEUDO_DETECT_FORMAT)(STR_F_TYPE const filename_f STR_ARG1)
void	FC_FUNC_ (pseudo_init, PSEUDO_INIT)(pseudopotential
void	FC_FUNC_ (pseudo_end, PSEUDO_END)(pseudopotential
fint	FC_FUNC_ (pseudo_type, PSEUDO_TYPE)(const pseudopotential
fint	FC_FUNC_ (pseudo_format, PSEUDO_FORMAT)(pseudopotential
double	FC_FUNC_ (pseudo_valence_charge, PSEUDO_VALENCE_CHARGE)(const pseudopotential
double	FC_FUNC_ (pseudo_mesh_spacing, PSEUDO_MESH_SPACING)(const pseudopotential
fint	FC_FUNC_ (pseudo_mesh_size, PSEUDO_MESH_SIZE)(const pseudopotential
double	FC_FUNC_ (pseudo_mass, PSEUDO_MASS)(const pseudopotential
fint	FC_FUNC_ (pseudo_lmax, PSEUDO_LMAX)(const pseudopotential
fint	FC_FUNC_ (pseudo_llocal, PSEUDO_LLOCAL)(const pseudopotential
fint	FC_FUNC_ (pseudo_nchannels, PSEUDO_NCHANNELS)(const pseudopotential
fint	FC_FUNC_ (pseudo_nprojectors, PSEUDO_NPROJECTORS)(const pseudopotential
fint	FC_FUNC_ (pseudo_nprojectors_per_l, PSEUDO_NPROJECTORS_PER_L)(const pseudopotential
void	FC_FUNC_ (pseudo_grid, PSEUDO_GRID)(const pseudopotential
void	FC_FUNC_ (pseudo_grid_weights, PSEUDO_GRID_WEIGHTS)(const pseudopotential
void	FC_FUNC_ (pseudo_local_potential, PSEUDO_LOCAL_POTENTIAL)(const pseudopotential
void	FC_FUNC_ (pseudo_projector, PSEUDO_PROJECTOR)(const pseudopotential
double	FC_FUNC_ (pseudo_dij, PSEUDO_DIJ)(const pseudopotential
void	FC_FUNC_ (pseudo_radial_potential, PSEUDO_RADIAL_POTENTIAL)(const pseudopotential
fint	FC_FUNC_ (pseudo_has_radial_function_low, PSEUDO_HAS_RADIAL_FUNCTION_LOW)(const pseudopotential
void	FC_FUNC_ (pseudo_radial_function, PSEUDO_RADIAL_FUNCTION)(const pseudopotential
fint	FC_FUNC_ (pseudo_has_nlcc_low, PSEUDO_HAS_NLCC_LOW)(const pseudopotential
void	FC_FUNC_ (pseudo_nlcc_density, PSEUDO_NLCC_DENSITY)(const pseudopotential
fint	FC_FUNC_ (pseudo_has_density_low, PSEUDO_HAS_DENSITY_LOW)(const pseudopotential
void	FC_FUNC_ (pseudo_density, PSEUDO_DENSITY)(const pseudopotential
fint	FC_FUNC_ (pseudo_nwavefunctions, PSEUDO_NWAVEFUNCTIONS)(const pseudopotential
void	FC_FUNC_ (pseudo_wavefunction, PSEUDO_WAVEFUNCTION)(const pseudopotential
fint	FC_FUNC_ (pseudo_exchange, PSEUDO_EXCHANGE)(const pseudopotential
fint	FC_FUNC_ (pseudo_correlation, PSEUDO_CORRELATION)(const pseudopotential
fint	FC_FUNC_ (pseudo_has_total_angular_momentum_low, PSEUDO_HAS_TOTAL_ANGULAR_MOMENTUM_LOW)(const pseudopotential
fint	FC_FUNC_ (pseudo_projector_2j, PSEUDO_PROJECTOR_2J)(const pseudopotential
fint	FC_FUNC_ (pseudo_wavefunction_2j, PSEUDO_WAVEFUNCTION_2J)(const pseudopotential

Function Documentation

FC_FUNC_() [1/33]

fint FC_FUNC_	(	pseudo_detect_format	,
		PSEUDO_DETECT_FORMAT
	)		const

FC_FUNC_() [2/33]

void FC_FUNC_	(	pseudo_init	,
		PSEUDO_INIT
	)

FC_FUNC_() [3/33]

void FC_FUNC_	(	pseudo_end	,
		PSEUDO_END
	)

FC_FUNC_() [4/33]

fint FC_FUNC_	(	pseudo_type	,
		PSEUDO_TYPE
	)		const

FC_FUNC_() [5/33]

fint FC_FUNC_	(	pseudo_format	,
		PSEUDO_FORMAT
	)

FC_FUNC_() [6/33]

double FC_FUNC_	(	pseudo_valence_charge	,
		PSEUDO_VALENCE_CHARGE
	)		const

FC_FUNC_() [7/33]

double FC_FUNC_	(	pseudo_mesh_spacing	,
		PSEUDO_MESH_SPACING
	)		const

FC_FUNC_() [8/33]

fint FC_FUNC_	(	pseudo_mesh_size	,
		PSEUDO_MESH_SIZE
	)		const

FC_FUNC_() [9/33]

double FC_FUNC_	(	pseudo_mass	,
		PSEUDO_MASS
	)		const

FC_FUNC_() [10/33]

fint FC_FUNC_	(	pseudo_lmax	,
		PSEUDO_LMAX
	)		const

FC_FUNC_() [11/33]

fint FC_FUNC_	(	pseudo_llocal	,
		PSEUDO_LLOCAL
	)		const

FC_FUNC_() [12/33]

fint FC_FUNC_	(	pseudo_nchannels	,
		PSEUDO_NCHANNELS
	)		const

FC_FUNC_() [13/33]

fint FC_FUNC_	(	pseudo_nprojectors	,
		PSEUDO_NPROJECTORS
	)		const

FC_FUNC_() [14/33]

fint FC_FUNC_	(	pseudo_nprojectors_per_l	,
		PSEUDO_NPROJECTORS_PER_L
	)		const

FC_FUNC_() [15/33]

void FC_FUNC_	(	pseudo_grid	,
		PSEUDO_GRID
	)		const

FC_FUNC_() [16/33]

void FC_FUNC_	(	pseudo_grid_weights	,
		PSEUDO_GRID_WEIGHTS
	)		const

FC_FUNC_() [17/33]

void FC_FUNC_	(	pseudo_local_potential	,
		PSEUDO_LOCAL_POTENTIAL
	)		const

FC_FUNC_() [18/33]

void FC_FUNC_	(	pseudo_projector	,
		PSEUDO_PROJECTOR
	)		const

FC_FUNC_() [19/33]

double FC_FUNC_	(	pseudo_dij	,
		PSEUDO_DIJ
	)		const

FC_FUNC_() [20/33]

void FC_FUNC_	(	pseudo_radial_potential	,
		PSEUDO_RADIAL_POTENTIAL
	)		const

FC_FUNC_() [21/33]

fint FC_FUNC_	(	pseudo_has_radial_function_low	,
		PSEUDO_HAS_RADIAL_FUNCTION_LOW
	)		const

FC_FUNC_() [22/33]

void FC_FUNC_	(	pseudo_radial_function	,
		PSEUDO_RADIAL_FUNCTION
	)		const

FC_FUNC_() [23/33]

fint FC_FUNC_	(	pseudo_has_nlcc_low	,
		PSEUDO_HAS_NLCC_LOW
	)		const

FC_FUNC_() [24/33]

void FC_FUNC_	(	pseudo_nlcc_density	,
		PSEUDO_NLCC_DENSITY
	)		const

FC_FUNC_() [25/33]

fint FC_FUNC_	(	pseudo_has_density_low	,
		PSEUDO_HAS_DENSITY_LOW
	)		const

FC_FUNC_() [26/33]

void FC_FUNC_	(	pseudo_density	,
		PSEUDO_DENSITY
	)		const

FC_FUNC_() [27/33]

fint FC_FUNC_	(	pseudo_nwavefunctions	,
		PSEUDO_NWAVEFUNCTIONS
	)		const

FC_FUNC_() [28/33]

void FC_FUNC_	(	pseudo_wavefunction	,
		PSEUDO_WAVEFUNCTION
	)		const

FC_FUNC_() [29/33]

fint FC_FUNC_	(	pseudo_exchange	,
		PSEUDO_EXCHANGE
	)		const

FC_FUNC_() [30/33]

fint FC_FUNC_	(	pseudo_correlation	,
		PSEUDO_CORRELATION
	)		const

FC_FUNC_() [31/33]

fint FC_FUNC_	(	pseudo_has_total_angular_momentum_low	,
		PSEUDO_HAS_TOTAL_ANGULAR_MOMENTUM_LOW
	)		const

FC_FUNC_() [32/33]

fint FC_FUNC_	(	pseudo_projector_2j	,
		PSEUDO_PROJECTOR_2J
	)		const

FC_FUNC_() [33/33]

fint FC_FUNC_	(	pseudo_wavefunction_2j	,
		PSEUDO_WAVEFUNCTION_2J
	)		const