UcellTestPrepare Class Reference

#include <prepare_unitcell.h>

Collaboration diagram for UcellTestPrepare:

Public Member Functions
	UcellTestPrepare ()=default
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in)
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in, std::valarray< double > mbl_in, std::valarray< double > velocity_in)
	UcellTestPrepare (const UcellTestPrepare &utp)
UnitCell *	SetUcellInfo ()
	UcellTestPrepare ()=default
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in)
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in, std::valarray< double > mbl_in, std::valarray< double > velocity_in)
	UcellTestPrepare (const UcellTestPrepare &utp)
std::unique_ptr< UnitCell >	SetUcellInfo ()
	UcellTestPrepare ()=default
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in)
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in, std::valarray< double > mbl_in, std::valarray< double > velocity_in)
	UcellTestPrepare (const UcellTestPrepare &utp)
UnitCell *	SetUcellInfo (const std::vector< int > &nw, int &nlocal)
	UcellTestPrepare ()=default
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in, std::valarray< double > mbl_in, std::valarray< double > velocity_in)
	UcellTestPrepare (const UcellTestPrepare &utp)
std::unique_ptr< UnitCell >	SetUcellInfo ()
	UcellTestPrepare ()=default
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in)
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in, std::valarray< double > mbl_in, std::valarray< double > velocity_in)
	UcellTestPrepare (const UcellTestPrepare &utp)
UnitCell *	SetUcellInfo ()
	UcellTestPrepare ()=default
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in)
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in, std::valarray< double > mbl_in, std::valarray< double > velocity_in)
	UcellTestPrepare (const UcellTestPrepare &utp)
UnitCell *	SetUcellInfo ()
	UcellTestPrepare ()=default
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in)
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in, std::valarray< double > mbl_in, std::valarray< double > velocity_in)
	UcellTestPrepare (const UcellTestPrepare &utp)
UnitCell *	SetUcellInfo ()
	UcellTestPrepare ()=default
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in)
	UcellTestPrepare (std::string latname_in, int lmaxmax_in, bool init_vel_in, bool selective_dynamics_in, bool relax_new_in, std::string fixed_axes_in, double lat0_in, std::valarray< double > latvec_in, std::vector< std::string > elements_in, std::vector< std::string > pp_files_in, std::vector< std::string > pp_types_in, std::vector< std::string > orb_files_in, std::valarray< int > natom_in, std::vector< double > atomic_mass_in, std::string coor_type_in, std::valarray< double > coordinates_in, std::valarray< double > mbl_in, std::valarray< double > velocity_in)
	UcellTestPrepare (const UcellTestPrepare &utp)
UnitCell *	SetUcellInfo (const std::vector< int > &nw, int &nlocal)

Public Attributes
std::string	latname
int	lmaxmax
bool	init_vel
bool	selective_dynamics
bool	relax_new
std::string	fixed_axes
double	lat0
std::valarray< double >	latvec
std::vector< std::string >	elements
std::vector< std::string >	pp_files
std::vector< std::string >	pp_types
std::vector< std::string >	orb_files
std::valarray< int >	natom
std::vector< double >	atomic_mass
std::string	coor_type
std::valarray< double >	coordinates
std::valarray< double >	mbl
std::valarray< double >	velocity
int	ntype
int	atomic_index

Constructor & Destructor Documentation

UcellTestPrepare() [1/31]

UcellTestPrepare::UcellTestPrepare ( )

default

UcellTestPrepare() [2/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in
	)

UcellTestPrepare() [3/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in,
		std::valarray< double >	mbl_in,
		std::valarray< double >	velocity_in
	)

UcellTestPrepare() [4/31]

UcellTestPrepare::UcellTestPrepare

(

const UcellTestPrepare &

utp

)

UcellTestPrepare() [5/31]

UcellTestPrepare::UcellTestPrepare ( )

default

UcellTestPrepare() [6/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in
	)

UcellTestPrepare() [7/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in,
		std::valarray< double >	mbl_in,
		std::valarray< double >	velocity_in
	)

UcellTestPrepare() [8/31]

UcellTestPrepare::UcellTestPrepare

(

const UcellTestPrepare &

utp

)

UcellTestPrepare() [9/31]

UcellTestPrepare::UcellTestPrepare ( )

default

UcellTestPrepare() [10/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in
	)

UcellTestPrepare() [11/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in,
		std::valarray< double >	mbl_in,
		std::valarray< double >	velocity_in
	)

UcellTestPrepare() [12/31]

UcellTestPrepare::UcellTestPrepare

(

const UcellTestPrepare &

utp

)

UcellTestPrepare() [13/31]

UcellTestPrepare::UcellTestPrepare ( )

default

UcellTestPrepare() [14/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in,
		std::valarray< double >	mbl_in,
		std::valarray< double >	velocity_in
	)

UcellTestPrepare() [15/31]

UcellTestPrepare::UcellTestPrepare

(

const UcellTestPrepare &

utp

)

UcellTestPrepare() [16/31]

UcellTestPrepare::UcellTestPrepare ( )

default

UcellTestPrepare() [17/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in
	)

UcellTestPrepare() [18/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in,
		std::valarray< double >	mbl_in,
		std::valarray< double >	velocity_in
	)

UcellTestPrepare() [19/31]

UcellTestPrepare::UcellTestPrepare

(

const UcellTestPrepare &

utp

)

UcellTestPrepare() [20/31]

UcellTestPrepare::UcellTestPrepare ( )

default

UcellTestPrepare() [21/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in
	)

UcellTestPrepare() [22/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in,
		std::valarray< double >	mbl_in,
		std::valarray< double >	velocity_in
	)

UcellTestPrepare() [23/31]

UcellTestPrepare::UcellTestPrepare

(

const UcellTestPrepare &

utp

)

UcellTestPrepare() [24/31]

UcellTestPrepare::UcellTestPrepare ( )

default

UcellTestPrepare() [25/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in
	)

UcellTestPrepare() [26/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in,
		std::valarray< double >	mbl_in,
		std::valarray< double >	velocity_in
	)

UcellTestPrepare() [27/31]

UcellTestPrepare::UcellTestPrepare

(

const UcellTestPrepare &

utp

)

UcellTestPrepare() [28/31]

UcellTestPrepare::UcellTestPrepare ( )

default

UcellTestPrepare() [29/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in
	)

UcellTestPrepare() [30/31]

UcellTestPrepare::UcellTestPrepare	(	std::string	latname_in,
		int	lmaxmax_in,
		bool	init_vel_in,
		bool	selective_dynamics_in,
		bool	relax_new_in,
		std::string	fixed_axes_in,
		double	lat0_in,
		std::valarray< double >	latvec_in,
		std::vector< std::string >	elements_in,
		std::vector< std::string >	pp_files_in,
		std::vector< std::string >	pp_types_in,
		std::vector< std::string >	orb_files_in,
		std::valarray< int >	natom_in,
		std::vector< double >	atomic_mass_in,
		std::string	coor_type_in,
		std::valarray< double >	coordinates_in,
		std::valarray< double >	mbl_in,
		std::valarray< double >	velocity_in
	)

UcellTestPrepare() [31/31]

UcellTestPrepare::UcellTestPrepare

(

const UcellTestPrepare &

utp

)

Member Function Documentation

SetUcellInfo() [1/8]

UnitCell * UcellTestPrepare::SetUcellInfo ( )

inline

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SetUcellInfo() [2/8]

std::unique_ptr< UnitCell > UcellTestPrepare::SetUcellInfo ( )

inline

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SetUcellInfo() [3/8]

std::unique_ptr< UnitCell > UcellTestPrepare::SetUcellInfo ( )

inline

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SetUcellInfo() [4/8]

UnitCell * UcellTestPrepare::SetUcellInfo ( )

inline

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SetUcellInfo() [5/8]

UnitCell * UcellTestPrepare::SetUcellInfo ( )

inline

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SetUcellInfo() [6/8]

UnitCell * UcellTestPrepare::SetUcellInfo ( )

inline

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SetUcellInfo() [7/8]

UnitCell * UcellTestPrepare::SetUcellInfo ( const std::vector< int > &  nw, int &  nlocal  )

inline

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SetUcellInfo() [8/8]

UnitCell * UcellTestPrepare::SetUcellInfo ( const std::vector< int > &  nw, int &  nlocal  )

inline

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Member Data Documentation

atomic_index

int UcellTestPrepare::atomic_index

atomic_mass

std::vector< double > UcellTestPrepare::atomic_mass

coor_type

std::string UcellTestPrepare::coor_type

coordinates

std::valarray< double > UcellTestPrepare::coordinates

elements

std::vector< std::string > UcellTestPrepare::elements

fixed_axes

std::string UcellTestPrepare::fixed_axes

init_vel

bool UcellTestPrepare::init_vel

lat0

double UcellTestPrepare::lat0

latname

std::string UcellTestPrepare::latname

latvec

std::valarray< double > UcellTestPrepare::latvec

lmaxmax

int UcellTestPrepare::lmaxmax

mbl

std::valarray< double > UcellTestPrepare::mbl

natom

std::valarray< int > UcellTestPrepare::natom

ntype

int UcellTestPrepare::ntype

orb_files

std::vector< std::string > UcellTestPrepare::orb_files

pp_files

std::vector< std::string > UcellTestPrepare::pp_files

pp_types

std::vector< std::string > UcellTestPrepare::pp_types

relax_new

bool UcellTestPrepare::relax_new

selective_dynamics

bool UcellTestPrepare::selective_dynamics

velocity

std::valarray< double > UcellTestPrepare::velocity

---

The documentation for this class was generated from the following files:

• /home/runner/work/abacus-develop/abacus-develop/source/source_cell/module_neighbor/test/prepare_unitcell.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_cell/test/prepare_unitcell.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_estate/module_dm/test/prepare_unitcell.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_estate/test/prepare_unitcell.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_io/test/prepare_unitcell.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_io/test_serial/prepare_unitcell.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_deltaspin/test/prepare_unitcell.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_hcontainer/test/prepare_unitcell.h