read_pp_test.cpp File Reference

#include "gtest/gtest.h"
#include "gmock/gmock.h"
#include "source_io/module_parameter/parameter.h"
#include <memory>
#include "source_cell/read_pp.h"
#include "source_cell/atom_pseudo.h"

Include dependency graph for read_pp_test.cpp:

Classes
class	ReadPPTest

Macros
#define	private   public
#define	private   public

Functions
	TEST_F (ReadPPTest, ReadUPF100_Coulomb)
	TEST_F (ReadPPTest, ReadUPF100)
	TEST_F (ReadPPTest, ReadUPF100USPP)
	TEST_F (ReadPPTest, ReadUPF201_Coulomb)
	TEST_F (ReadPPTest, ReadUPF201)
	TEST_F (ReadPPTest, ReadUSPPUPF201)
	TEST_F (ReadPPTest, HeaderErr2011)
	TEST_F (ReadPPTest, HeaderErr2012)
	TEST_F (ReadPPTest, HeaderErr2013)
	TEST_F (ReadPPTest, HeaderErr2015)
	TEST_F (ReadPPTest, ReadUPF201FR)
	TEST_F (ReadPPTest, ReadUPF201MESH2)
	TEST_F (ReadPPTest, VWR)
	TEST_F (ReadPPTest, BLPS)
	TEST_F (ReadPPTest, SetPseudoType)
	TEST_F (ReadPPTest, Trim)
	TEST_F (ReadPPTest, SetEmptyElement)
	TEST_F (ReadPPTest, SetUpfQ)
	TEST_F (ReadPPTest, SetQfNew)
	TEST_F (ReadPPTest, InitReader)
	TEST_F (ReadPPTest, AverageSimpleReturns)
	TEST_F (ReadPPTest, AverageErrReturns)
	TEST_F (ReadPPTest, AverageLSPINORB0)
	TEST_F (ReadPPTest, AverageLSPINORB1)

Macro Definition Documentation

private [1/2]

#define private   public

• Tested Functions:
  • ReadUPF100
  • ReadUPF100USPP
    • read_pseudo_upf
      • read 1.0.0 version of upf pseudopotential file
    • read_pseudo_header
    • read_pseudo_mesh
    • read_pseudo_nl
    • read_pseudo_local
    • read_pseudo_pswfc
    • read_pseudo_rhoatom
    • read_pseudo_so
    • print_pseudo_upf
  • ReadUPF201
  • ReadUSPPUPF201
    • read_pseudo_upf201
      • read 2.0.1 version of upf pseudopotential file
    • getnameval
    • read_pseudo_upf201_header
    • read_pseudo_upf201_mesh
    • read_pseudo_upf201_nonlocal
    • read_pseudo_upf201_pswfc
    • void read_pseudo_upf201_so
  • HeaderErr201
    • coulomb and paw pp are not supported
    • no pp_header
    • arbitrary is not read in
    • semi-local pp is not supported
  • ReadUPF201MESH2
    • a different "<PP_MESH" header in UPF file
  • ReadUPF201FR
    • read a full-relativistic pp
  • VWR
    • read vwr type of pp
  • VWR
    • read vwr type of pp
  • BLPS
    • read blps type of pp
  • SetPseudoType
    • find the type of pp, upf201 or upf
  • Trim
    • trim: an iterative function to delete all tab and space in a string
    • trimend: trim tab and space and space at two ends of a string
  • InitReader
    • init_pseudo_reader: actual pseudo reader
  • SetEmptyElement
    • set_empty_element: used in BSSE calculation
  • SetPseudoType
    • set_pseudo_type: tell it is upf or upf201 from the pp file's header line
  • Average
    • average_p: modulate the soc effect in pseudopotential

private [2/2]

#define private   public

• Tested Functions:
  • ReadUPF100
  • ReadUPF100USPP
    • read_pseudo_upf
      • read 1.0.0 version of upf pseudopotential file
    • read_pseudo_header
    • read_pseudo_mesh
    • read_pseudo_nl
    • read_pseudo_local
    • read_pseudo_pswfc
    • read_pseudo_rhoatom
    • read_pseudo_so
    • print_pseudo_upf
  • ReadUPF201
  • ReadUSPPUPF201
    • read_pseudo_upf201
      • read 2.0.1 version of upf pseudopotential file
    • getnameval
    • read_pseudo_upf201_header
    • read_pseudo_upf201_mesh
    • read_pseudo_upf201_nonlocal
    • read_pseudo_upf201_pswfc
    • void read_pseudo_upf201_so
  • HeaderErr201
    • coulomb and paw pp are not supported
    • no pp_header
    • arbitrary is not read in
    • semi-local pp is not supported
  • ReadUPF201MESH2
    • a different "<PP_MESH" header in UPF file
  • ReadUPF201FR
    • read a full-relativistic pp
  • VWR
    • read vwr type of pp
  • VWR
    • read vwr type of pp
  • BLPS
    • read blps type of pp
  • SetPseudoType
    • find the type of pp, upf201 or upf
  • Trim
    • trim: an iterative function to delete all tab and space in a string
    • trimend: trim tab and space and space at two ends of a string
  • InitReader
    • init_pseudo_reader: actual pseudo reader
  • SetEmptyElement
    • set_empty_element: used in BSSE calculation
  • SetPseudoType
    • set_pseudo_type: tell it is upf or upf201 from the pp file's header line
  • Average
    • average_p: modulate the soc effect in pseudopotential

Function Documentation

TEST_F() [1/24]

TEST_F	(	ReadPPTest	,
		AverageErrReturns
	)

TEST_F() [2/24]

TEST_F	(	ReadPPTest	,
		AverageLSPINORB0
	)

TEST_F() [3/24]

TEST_F	(	ReadPPTest	,
		AverageLSPINORB1
	)

TEST_F() [4/24]

TEST_F	(	ReadPPTest	,
		AverageSimpleReturns
	)

TEST_F() [5/24]

TEST_F	(	ReadPPTest	,
		BLPS
	)

TEST_F() [6/24]

TEST_F	(	ReadPPTest	,
		HeaderErr2011
	)

TEST_F() [7/24]

TEST_F	(	ReadPPTest	,
		HeaderErr2012
	)

TEST_F() [8/24]

TEST_F	(	ReadPPTest	,
		HeaderErr2013
	)

TEST_F() [9/24]

TEST_F	(	ReadPPTest	,
		HeaderErr2015
	)

TEST_F() [10/24]

TEST_F	(	ReadPPTest	,
		InitReader
	)

TEST_F() [11/24]

TEST_F	(	ReadPPTest	,
		ReadUPF100
	)

TEST_F() [12/24]

TEST_F	(	ReadPPTest	,
		ReadUPF100_Coulomb
	)

TEST_F() [13/24]

TEST_F	(	ReadPPTest	,
		ReadUPF100USPP
	)

TEST_F() [14/24]

TEST_F	(	ReadPPTest	,
		ReadUPF201
	)

TEST_F() [15/24]

TEST_F	(	ReadPPTest	,
		ReadUPF201_Coulomb
	)

TEST_F() [16/24]

TEST_F	(	ReadPPTest	,
		ReadUPF201FR
	)

TEST_F() [17/24]

TEST_F	(	ReadPPTest	,
		ReadUPF201MESH2
	)

TEST_F() [18/24]

TEST_F	(	ReadPPTest	,
		ReadUSPPUPF201
	)

TEST_F() [19/24]

TEST_F	(	ReadPPTest	,
		SetEmptyElement
	)

TEST_F() [20/24]

TEST_F	(	ReadPPTest	,
		SetPseudoType
	)

TEST_F() [21/24]

TEST_F	(	ReadPPTest	,
		SetQfNew
	)

TEST_F() [22/24]

TEST_F	(	ReadPPTest	,
		SetUpfQ
	)

TEST_F() [23/24]

TEST_F	(	ReadPPTest	,
		Trim
	)

TEST_F() [24/24]

TEST_F	(	ReadPPTest	,
		VWR
	)