DMRITOOLConfigure.h File Reference

#include <string>

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Namespaces
	utl

Macros
#define	DMRITOOL_USE_FASTLAPACK
#define	DMRITOOL_USE_MKL
#define	DMRITOOL_USE_OPENMP
#define	DMRITOOL_VERSION_MAJOR   0
#define	DMRITOOL_VERSION_MINOR   1
#define	DMRITOOL_VERSION_PATCH   1
#define	DMRITOOL_VERSION_STRING   ""
#define	Path_GradientsElectricRepulsion   "/home/jcheng/.dmritool/Data/ElectricRepulsion"
#define	Path_GradientsT1   "/home/jcheng/.dmritool/Data/Tessellation/directions_t1.txt"
#define	Path_GradientsT2   "/home/jcheng/.dmritool/Data/Tessellation/directions_t2.txt"
#define	Path_GradientsT3   "/home/jcheng/.dmritool/Data/Tessellation/directions_t3.txt"
#define	Path_GradientsT4   "/home/jcheng/.dmritool/Data/Tessellation/directions_t4.txt"
#define	Path_GradientsT5   "/home/jcheng/.dmritool/Data/Tessellation/directions_t5.txt"
#define	Path_GradientsT6   "/home/jcheng/.dmritool/Data/Tessellation/directions_t6.txt"
#define	Path_GradientsT7   "/home/jcheng/.dmritool/Data/Tessellation/directions_t7.txt"
#define	Path_LearnedSPFDictionary_SH8_RA4_K250   "/home/jcheng/.dmritool/Data/PreComputedTables/SPFDictionary_sh8_ra4_eps0.0001_iter10000_online_iso2_k250_md5_fa10_mdiso10x321.txt"
#define	Path_LearnedSPFEnergy_SH8_RA4_K250   "/home/jcheng/.dmritool/Data/PreComputedTables/SPFEnergy_sh8_ra4_eps0.0001_iter10000_online_iso2_k250_md5_fa10_mdiso10x321.txt"
#define	Path_SH3Integral_HDR   "/home/jcheng/.dmritool/Data/PreComputedTables/sh3integral.hdr"

Variables
static const std::string	utl::DirectionsT1 = std::string( "/home/jcheng/.dmritool/Data/Tessellation/directions_t1.txt" )
static const std::string	utl::DirectionsT2 = std::string( "/home/jcheng/.dmritool/Data/Tessellation/directions_t2.txt" )
static const std::string	utl::DirectionsT3 = std::string( "/home/jcheng/.dmritool/Data/Tessellation/directions_t3.txt" )
static const std::string	utl::DirectionsT4 = std::string( "/home/jcheng/.dmritool/Data/Tessellation/directions_t4.txt" )
static const std::string	utl::DirectionsT5 = std::string( "/home/jcheng/.dmritool/Data/Tessellation/directions_t5.txt" )
static const std::string	utl::DirectionsT6 = std::string( "/home/jcheng/.dmritool/Data/Tessellation/directions_t6.txt" )
static const std::string	utl::DirectionsT7 = std::string( "/home/jcheng/.dmritool/Data/Tessellation/directions_t7.txt" )
static const std::string	utl::GradientsElec = std::string( "/home/jcheng/.dmritool/Data/ElectricRepulsion" )
static const std::string	utl::LearnedSPFDictionary_SH8_RA4_K250 = std::string( "/home/jcheng/.dmritool/Data/PreComputedTables/SPFDictionary_sh8_ra4_eps0.0001_iter10000_online_iso2_k250_md5_fa10_mdiso10x321.txt" )
static const std::string	utl::LearnedSPFEnergy_SH8_RA4_K250 = std::string( "/home/jcheng/.dmritool/Data/PreComputedTables/SPFEnergy_sh8_ra4_eps0.0001_iter10000_online_iso2_k250_md5_fa10_mdiso10x321.txt" )
static const std::string	utl::SH3Itegralhdr = std::string( "/home/jcheng/.dmritool/Data/PreComputedTables/sh3integral.hdr" )

Macro Definition Documentation

#define DMRITOOL_USE_FASTLAPACK

Definition at line 25 of file DMRITOOLConfigure.h.

#define DMRITOOL_USE_MKL

Definition at line 24 of file DMRITOOLConfigure.h.

#define DMRITOOL_USE_OPENMP

Definition at line 23 of file DMRITOOLConfigure.h.

#define DMRITOOL_VERSION_MAJOR   0

Definition at line 27 of file DMRITOOLConfigure.h.

#define DMRITOOL_VERSION_MINOR   1

Definition at line 28 of file DMRITOOLConfigure.h.

#define DMRITOOL_VERSION_PATCH   1

Definition at line 29 of file DMRITOOLConfigure.h.

#define DMRITOOL_VERSION_STRING   ""

Definition at line 30 of file DMRITOOLConfigure.h.

#define Path_GradientsElectricRepulsion   "/home/jcheng/.dmritool/Data/ElectricRepulsion"

Definition at line 54 of file DMRITOOLConfigure.h.

#define Path_GradientsT1   "/home/jcheng/.dmritool/Data/Tessellation/directions_t1.txt"

the stored gradient file generated from Spherical Tessellation (order=1)

Definition at line 33 of file DMRITOOLConfigure.h.

#define Path_GradientsT2   "/home/jcheng/.dmritool/Data/Tessellation/directions_t2.txt"

the stored gradient file generated from Spherical Tessellation (order=2)

Definition at line 35 of file DMRITOOLConfigure.h.

#define Path_GradientsT3   "/home/jcheng/.dmritool/Data/Tessellation/directions_t3.txt"

the stored gradient file generated from Spherical Tessellation (order=3)

Definition at line 37 of file DMRITOOLConfigure.h.

#define Path_GradientsT4   "/home/jcheng/.dmritool/Data/Tessellation/directions_t4.txt"

the stored gradient file generated from Spherical Tessellation (order=4)

Definition at line 39 of file DMRITOOLConfigure.h.

#define Path_GradientsT5   "/home/jcheng/.dmritool/Data/Tessellation/directions_t5.txt"

the stored gradient file generated from Spherical Tessellation (order=5)

Definition at line 41 of file DMRITOOLConfigure.h.

#define Path_GradientsT6   "/home/jcheng/.dmritool/Data/Tessellation/directions_t6.txt"

the stored gradient file generated from Spherical Tessellation (order=6)

Definition at line 43 of file DMRITOOLConfigure.h.

#define Path_GradientsT7   "/home/jcheng/.dmritool/Data/Tessellation/directions_t7.txt"

the stored gradient file generated from Spherical Tessellation (order=7)

Definition at line 45 of file DMRITOOLConfigure.h.

#define Path_LearnedSPFDictionary_SH8_RA4_K250   "/home/jcheng/.dmritool/Data/PreComputedTables/SPFDictionary_sh8_ra4_eps0.0001_iter10000_online_iso2_k250_md5_fa10_mdiso10x321.txt"

The learned SPF dictionary, sh=8, ra=4, K=250 atoms

Definition at line 51 of file DMRITOOLConfigure.h.

#define Path_LearnedSPFEnergy_SH8_RA4_K250   "/home/jcheng/.dmritool/Data/PreComputedTables/SPFEnergy_sh8_ra4_eps0.0001_iter10000_online_iso2_k250_md5_fa10_mdiso10x321.txt"

Definition at line 52 of file DMRITOOLConfigure.h.

#define Path_SH3Integral_HDR   "/home/jcheng/.dmritool/Data/PreComputedTables/sh3integral.hdr"

The table of integration of triple SH basis (real, thesis), genegrated by print_sh_integration

Definition at line 48 of file DMRITOOLConfigure.h.