KIDS  ver-0.0.1
KIDS : Kernel Integrated Dynamics Simulator
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PROJECT_NS::Dimension Namespace Reference

Dimension namespace locates read parameters for system size. More...

Typedefs

using sh_ref = std::vector<std::size_t*>
 

Functions

void static_build_shapes ()
 
Shape shape_1 (1)
 
Shape shape_2 (2)
 
Shape shape_X (1)
 
Shape shape_M (sh_ref{&M})
 
Shape shape_P (sh_ref{&P})
 
Shape shape_N (sh_ref{&N})
 
Shape shape_F (sh_ref{&F})
 
Shape shape_Fadd1 (sh_ref{&Fadd1})
 
Shape shape_MP (sh_ref{&M, &P})
 
Shape shape_PP (sh_ref{&P, &P})
 
Shape shape_PN (sh_ref{&P, &N})
 
Shape shape_PNN (sh_ref{&P, &N, &N})
 
Shape shape_PF (sh_ref{&P, &F})
 
Shape shape_PFF (sh_ref{&P, &F, &F})
 
Shape shape_PNFF (sh_ref{&P, &N, &F, &F})
 
Shape shape_NF (sh_ref{&N, &F})
 
Shape shape_NN (sh_ref{&N, &N})
 
Shape shape_FF (sh_ref{&F, &F})
 
Shape shape_NFF (sh_ref{&N, &F, &F})
 
Shape shape_NNFF (sh_ref{&N, &N, &F, &F})
 

Variables

std::size_t M
 Number of Monte Carlo calculations.
 
std::size_t P
 Number of parallel trajectories (swarms of trajectories) in each Monte Carlo run.
 
std::size_t N
 Number of nuclear degrees of freedom.
 
std::size_t F
 Number of electronic degrees of freedom.
 
std::size_t MP
 Product of M and P (M * P).
 
std::size_t PP
 Product of P and P (P * P).
 
std::size_t PN
 Product of P and N (P * N).
 
std::size_t PNN
 Product of P, N, and N (P * N * N).
 
std::size_t PF
 Product of P and F (P * F).
 
std::size_t PFF
 Product of P, F, and F (P * F * F).
 
std::size_t PNFF
 Product of P, N, F, and F (P * N * F * F).
 
std::size_t NF
 Product of N and F (N * F).
 
std::size_t NN
 Product of N and N (N * N).
 
std::size_t FF
 Product of F and F (F * F).
 
std::size_t NFF
 Product of N, F, and F (N * F * F).
 
std::size_t NNFF
 Product of N, N, F, and F (N * N * F * F).
 
std::size_t Fadd1
 F plus 1 (F + 1).
 
Shape shape_1
 Shape corresponding to a single element (1).
 
Shape shape_2
 Shape corresponding to two elements (2).
 
Shape shape_X
 Shape for an arbitrary number of elements.
 
Shape shape_M
 Shape for the number of Monte Carlo calculations (M).
 
Shape shape_P
 Shape for the number of parallel trajectories (P).
 
Shape shape_N
 Shape for the number of nuclear degrees of freedom (N).
 
Shape shape_F
 Shape for the number of electronic degrees of freedom (F).
 
Shape shape_Fadd1
 Shape for F plus 1 (F + 1).
 
Shape shape_MP
 Shape for the product of M and P (M * P).
 
Shape shape_PP
 Shape for the product of P and P (P * P).
 
Shape shape_PN
 Shape for the product of P and N (P * N).
 
Shape shape_PNN
 Shape for the product of P, N, and N (P * N * N).
 
Shape shape_PF
 Shape for the product of P and F (P * F).
 
Shape shape_PFF
 Shape for the product of P, F, and F (P * F * F).
 
Shape shape_PNFF
 Shape for the product of P, N, F, and F (P * N * F * F).
 
Shape shape_NF
 Shape for the product of N and F (N * F).
 
Shape shape_NN
 Shape for the product of N and N (N * N).
 
Shape shape_FF
 Shape for the product of F and F (F * F).
 
Shape shape_NFF
 Shape for the product of N, F, and F (N * F * F).
 
Shape shape_NNFF
 Shape for the product of N, N, F, and F (N * N * F * F).
 
Shape shape_Nxgrid (1)
 
Shape shape_Nb (1)
 

Detailed Description

Dimension namespace locates read parameters for system size.

Typedef Documentation

◆ sh_ref

using PROJECT_NS::Dimension::sh_ref = std::vector<std::size_t*>

Definition at line 26 of file vars_list.cpp.

Function Documentation

◆ shape_1()

Shape PROJECT_NS::Dimension::shape_1 ( 1 )

◆ shape_2()

Shape PROJECT_NS::Dimension::shape_2 ( 2 )

◆ shape_F()

Shape PROJECT_NS::Dimension::shape_F ( sh_ref{&F} )

References F.

◆ shape_Fadd1()

Shape PROJECT_NS::Dimension::shape_Fadd1 ( sh_ref{&Fadd1} )

References Fadd1.

◆ shape_FF()

Shape PROJECT_NS::Dimension::shape_FF ( sh_ref{&F, &F} )

References F.

◆ shape_M()

Shape PROJECT_NS::Dimension::shape_M ( sh_ref{&M} )

References M.

◆ shape_MP()

Shape PROJECT_NS::Dimension::shape_MP ( sh_ref{&M, &P} )

References M, and P.

◆ shape_N()

Shape PROJECT_NS::Dimension::shape_N ( sh_ref{&N} )

References N.

◆ shape_NF()

Shape PROJECT_NS::Dimension::shape_NF ( sh_ref{&N, &F} )

References F, and N.

◆ shape_NFF()

Shape PROJECT_NS::Dimension::shape_NFF ( sh_ref{&N, &F, &F} )

References F, and N.

◆ shape_NN()

Shape PROJECT_NS::Dimension::shape_NN ( sh_ref{&N, &N} )

References N.

◆ shape_NNFF()

Shape PROJECT_NS::Dimension::shape_NNFF ( sh_ref{&N, &N, &F, &F} )

References F, and N.

◆ shape_P()

Shape PROJECT_NS::Dimension::shape_P ( sh_ref{&P} )

References P.

◆ shape_PF()

Shape PROJECT_NS::Dimension::shape_PF ( sh_ref{&P, &F} )

References F, and P.

◆ shape_PFF()

Shape PROJECT_NS::Dimension::shape_PFF ( sh_ref{&P, &F, &F} )

References F, and P.

◆ shape_PN()

Shape PROJECT_NS::Dimension::shape_PN ( sh_ref{&P, &N} )

References N, and P.

◆ shape_PNFF()

Shape PROJECT_NS::Dimension::shape_PNFF ( sh_ref{&P, &N, &F, &F} )

References F, N, and P.

◆ shape_PNN()

Shape PROJECT_NS::Dimension::shape_PNN ( sh_ref{&P, &N, &N} )

References N, and P.

◆ shape_PP()

Shape PROJECT_NS::Dimension::shape_PP ( sh_ref{&P, &P} )

References P.

◆ shape_X()

Shape PROJECT_NS::Dimension::shape_X ( 1 )

◆ static_build_shapes()

void PROJECT_NS::Dimension::static_build_shapes ( )
extern

Definition at line 50 of file vars_list.cpp.

References F, Fadd1, FF, M, MP, N, NF, NFF, NN, P, PF, PFF, PN, PNFF, PNN, PP, shape_F, shape_Fadd1, shape_FF, shape_M, shape_MP, shape_N, shape_NF, shape_NFF, shape_NN, shape_NNFF, shape_P, shape_PF, shape_PFF, shape_PN, shape_PNFF, shape_PNN, shape_PP, and PROJECT_NS::Shape::static_build().

Referenced by PROJECT_NS::Kernel_Read_Dimensions::setInputParam_impl().

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Variable Documentation

◆ F

std::size_t PROJECT_NS::Dimension::F

Number of electronic degrees of freedom.

Definition at line 11 of file vars_list.cpp.

Referenced by PROJECT_NS::elec_utils::c_window(), PROJECT_NS::calc_distforce(), PROJECT_NS::calc_Ew(), PROJECT_NS::calc_wrho(), PROJECT_NS::Kernel_GWP::cloning(), PROJECT_NS::Kernel_Conserve::executeKernel_impl(), PROJECT_NS::Kernel_Elec_NAD::executeKernel_impl(), PROJECT_NS::Kernel_Elec_Switch::executeKernel_impl(), PROJECT_NS::Kernel_GWP::executeKernel_impl(), PROJECT_NS::Kernel_NADForce::executeKernel_impl(), PROJECT_NS::Kernel_Representation::executeKernel_impl(), PROJECT_NS::Kernel_Update_c::executeKernel_impl(), PROJECT_NS::Model_Interf_MNDO::executeKernel_impl(), PROJECT_NS::Model_LVCM::executeKernel_impl(), PROJECT_NS::Model_NAD1D::executeKernel_impl(), PROJECT_NS::elec_utils::hopping_choose(), PROJECT_NS::elec_utils::hopping_direction(), PROJECT_NS::elec_utils::hopping_direction(), PROJECT_NS::Kernel_GWP::impl_0(), PROJECT_NS::Kernel_GWP::impl_1(), PROJECT_NS::Kernel_Elec_NAD::initializeKernel_impl(), PROJECT_NS::Kernel_Elec_Switch::initializeKernel_impl(), PROJECT_NS::Kernel_GWP::initializeKernel_impl(), PROJECT_NS::elec_utils::ker_binning(), PROJECT_NS::elec_utils::max_choose(), PROJECT_NS::Model_Interf_MNDO::parse_standard(), PROJECT_NS::elec_utils::pop_choose(), PROJECT_NS::elec_utils::pop_neg_choose(), PROJECT_NS::Kernel_GWP::setInputDataSet_impl(), PROJECT_NS::Model_Interf_MNDO::setInputDataSet_impl(), PROJECT_NS::Model_LVCM::setInputDataSet_impl(), PROJECT_NS::Model_SystemBath::setInputDataSet_impl(), PROJECT_NS::Kernel_Elec::setInputParam_impl(), PROJECT_NS::Kernel_Elec_NAD::setInputParam_impl(), PROJECT_NS::Kernel_Elec_Switch::setInputParam_impl(), PROJECT_NS::Kernel_GWP::setInputParam_impl(), PROJECT_NS::Kernel_Read_Dimensions::setInputParam_impl(), PROJECT_NS::Model_Interf_MNDO::setInputParam_impl(), shape_F(), shape_FF(), shape_NF(), shape_NFF(), shape_NNFF(), shape_PF(), shape_PFF(), shape_PNFF(), static_build_shapes(), and PROJECT_NS::Model_Interf_MNDO::track_nac_sign().

◆ Fadd1

◆ FF

◆ M

std::size_t PROJECT_NS::Dimension::M

Number of Monte Carlo calculations.

Definition at line 8 of file vars_list.cpp.

Referenced by PROJECT_NS::Kernel_Read_Dimensions::setInputParam_impl(), shape_M(), shape_MP(), and static_build_shapes().

◆ MP

std::size_t PROJECT_NS::Dimension::MP

Product of M and P (M * P).

Definition at line 12 of file vars_list.cpp.

Referenced by static_build_shapes().

◆ N

std::size_t PROJECT_NS::Dimension::N

Number of nuclear degrees of freedom.

Definition at line 10 of file vars_list.cpp.

Referenced by PROJECT_NS::calc_distforce(), PROJECT_NS::Kernel_GWP::cloning(), PROJECT_NS::Kernel_Conserve::executeKernel_impl(), PROJECT_NS::Kernel_Elec_NAD::executeKernel_impl(), PROJECT_NS::Kernel_Elec_Switch::executeKernel_impl(), PROJECT_NS::Kernel_NADForce::executeKernel_impl(), PROJECT_NS::Kernel_Representation::executeKernel_impl(), PROJECT_NS::Kernel_Update_p::executeKernel_impl(), PROJECT_NS::Model_ElectronTransfer::executeKernel_impl(), PROJECT_NS::Model_Interf_MNDO::executeKernel_impl(), PROJECT_NS::Model_LVCM::executeKernel_impl(), PROJECT_NS::Model_SystemBath::executeKernel_impl(), PROJECT_NS::elec_utils::hopping_direction(), PROJECT_NS::elec_utils::hopping_direction(), PROJECT_NS::elec_utils::hopping_impulse(), PROJECT_NS::hopping_impulse(), PROJECT_NS::Kernel_GWP::impl_0(), PROJECT_NS::Kernel_GWP::impl_1(), PROJECT_NS::Kernel_GWP::initializeKernel_impl(), PROJECT_NS::Kernel_Update_p::initializeKernel_impl(), PROJECT_NS::Model_ElectronTransfer::initializeKernel_impl(), PROJECT_NS::Model_Interf_MNDO::initializeKernel_impl(), PROJECT_NS::Model_LVCM::initializeKernel_impl(), PROJECT_NS::Model_NAD1D::initializeKernel_impl(), PROJECT_NS::Model_SystemBath::initializeKernel_impl(), PROJECT_NS::Model_Interf_MNDO::parse_hessian(), PROJECT_NS::Model_Interf_MNDO::parse_standard(), PROJECT_NS::Kernel_GWP::setInputDataSet_impl(), PROJECT_NS::Kernel_Update_x::setInputDataSet_impl(), PROJECT_NS::Model_ElectronTransfer::setInputDataSet_impl(), PROJECT_NS::Model_Interf_MNDO::setInputDataSet_impl(), PROJECT_NS::Model_LVCM::setInputDataSet_impl(), PROJECT_NS::Model_NAD1D::setInputDataSet_impl(), PROJECT_NS::Model_SystemBath::setInputDataSet_impl(), PROJECT_NS::Kernel_Read_Dimensions::setInputParam_impl(), PROJECT_NS::Model_Interf_MNDO::setInputParam_impl(), shape_N(), shape_NF(), shape_NFF(), shape_NN(), shape_NNFF(), shape_PN(), shape_PNFF(), shape_PNN(), static_build_shapes(), and PROJECT_NS::Model_Interf_MNDO::track_nac_sign().

◆ NF

std::size_t PROJECT_NS::Dimension::NF

Product of N and F (N * F).

Definition at line 19 of file vars_list.cpp.

Referenced by PROJECT_NS::Kernel_Representation::executeKernel_impl(), and static_build_shapes().

◆ NFF

◆ NN

◆ NNFF

std::size_t PROJECT_NS::Dimension::NNFF

Product of N, N, F, and F (N * N * F * F).

Definition at line 23 of file vars_list.cpp.

◆ P

std::size_t PROJECT_NS::Dimension::P

Number of parallel trajectories (swarms of trajectories) in each Monte Carlo run.

Definition at line 9 of file vars_list.cpp.

Referenced by PROJECT_NS::Kernel_GWP::cloning(), PROJECT_NS::Kernel_Conserve::executeKernel_impl(), PROJECT_NS::Kernel_Elec_NAD::executeKernel_impl(), PROJECT_NS::Kernel_Elec_Switch::executeKernel_impl(), PROJECT_NS::Kernel_GWP::executeKernel_impl(), PROJECT_NS::Kernel_NADForce::executeKernel_impl(), PROJECT_NS::Kernel_Representation::executeKernel_impl(), PROJECT_NS::Kernel_Update_c::executeKernel_impl(), PROJECT_NS::Kernel_Update_p::executeKernel_impl(), PROJECT_NS::Model_ElectronTransfer::executeKernel_impl(), PROJECT_NS::Model_LVCM::executeKernel_impl(), PROJECT_NS::Model_SystemBath::executeKernel_impl(), PROJECT_NS::Kernel_GWP::impl_0(), PROJECT_NS::Kernel_GWP::impl_1(), PROJECT_NS::Kernel_Conserve::initializeKernel_impl(), PROJECT_NS::Kernel_Elec::initializeKernel_impl(), PROJECT_NS::Kernel_Elec_NAD::initializeKernel_impl(), PROJECT_NS::Kernel_Elec_Switch::initializeKernel_impl(), PROJECT_NS::Kernel_GWP::initializeKernel_impl(), PROJECT_NS::Kernel_Update_p::initializeKernel_impl(), PROJECT_NS::Model_ElectronTransfer::initializeKernel_impl(), PROJECT_NS::Model_LVCM::initializeKernel_impl(), PROJECT_NS::Model_SystemBath::initializeKernel_impl(), PROJECT_NS::Kernel_GWP::setInputDataSet_impl(), PROJECT_NS::Kernel_Update_x::setInputDataSet_impl(), PROJECT_NS::Kernel_Read_Dimensions::setInputParam_impl(), shape_MP(), shape_P(), shape_PF(), shape_PFF(), shape_PN(), shape_PNFF(), shape_PNN(), shape_PP(), and static_build_shapes().

◆ PF

◆ PFF

◆ PN

◆ PNFF

std::size_t PROJECT_NS::Dimension::PNFF

Product of P, N, F, and F (P * N * F * F).

Definition at line 18 of file vars_list.cpp.

Referenced by PROJECT_NS::Kernel_GWP::setInputDataSet_impl(), and static_build_shapes().

◆ PNN

std::size_t PROJECT_NS::Dimension::PNN

Product of P, N, and N (P * N * N).

Definition at line 15 of file vars_list.cpp.

Referenced by static_build_shapes().

◆ PP

◆ shape_1

Shape PROJECT_NS::Dimension::shape_1(1)

Shape corresponding to a single element (1).

◆ shape_2

Shape PROJECT_NS::Dimension::shape_2(2)

Shape corresponding to two elements (2).

◆ shape_F

Shape PROJECT_NS::Dimension::shape_F(sh_ref{&F})

Shape for the number of electronic degrees of freedom (F).

Referenced by static_build_shapes().

◆ shape_Fadd1

Shape PROJECT_NS::Dimension::shape_Fadd1(sh_ref{&Fadd1})

Shape for F plus 1 (F + 1).

Referenced by static_build_shapes().

◆ shape_FF

Shape PROJECT_NS::Dimension::shape_FF(sh_ref{&F, &F})

Shape for the product of F and F (F * F).

Referenced by static_build_shapes().

◆ shape_M

Shape PROJECT_NS::Dimension::shape_M(sh_ref{&M})

Shape for the number of Monte Carlo calculations (M).

Referenced by static_build_shapes().

◆ shape_MP

Shape PROJECT_NS::Dimension::shape_MP(sh_ref{&M, &P})

Shape for the product of M and P (M * P).

Referenced by static_build_shapes().

◆ shape_N

Shape PROJECT_NS::Dimension::shape_N(sh_ref{&N})

Shape for the number of nuclear degrees of freedom (N).

Referenced by static_build_shapes().

◆ shape_Nb

Shape PROJECT_NS::Dimension::shape_Nb(1) ( 1 )

◆ shape_NF

Shape PROJECT_NS::Dimension::shape_NF(sh_ref{&N, &F})

Shape for the product of N and F (N * F).

Referenced by static_build_shapes().

◆ shape_NFF

Shape PROJECT_NS::Dimension::shape_NFF(sh_ref{&N, &F, &F})

Shape for the product of N, F, and F (N * F * F).

Referenced by static_build_shapes().

◆ shape_NN

Shape PROJECT_NS::Dimension::shape_NN(sh_ref{&N, &N})

Shape for the product of N and N (N * N).

Referenced by static_build_shapes().

◆ shape_NNFF

Shape PROJECT_NS::Dimension::shape_NNFF(sh_ref{&N, &N, &F, &F})

Shape for the product of N, N, F, and F (N * N * F * F).

Referenced by static_build_shapes().

◆ shape_Nxgrid

Shape PROJECT_NS::Dimension::shape_Nxgrid(1) ( 1 )

◆ shape_P

Shape PROJECT_NS::Dimension::shape_P(sh_ref{&P})

Shape for the number of parallel trajectories (P).

Referenced by static_build_shapes().

◆ shape_PF

Shape PROJECT_NS::Dimension::shape_PF(sh_ref{&P, &F})

Shape for the product of P and F (P * F).

Referenced by static_build_shapes().

◆ shape_PFF

Shape PROJECT_NS::Dimension::shape_PFF(sh_ref{&P, &F, &F})

Shape for the product of P, F, and F (P * F * F).

Referenced by static_build_shapes().

◆ shape_PN

Shape PROJECT_NS::Dimension::shape_PN(sh_ref{&P, &N})

Shape for the product of P and N (P * N).

Referenced by static_build_shapes().

◆ shape_PNFF

Shape PROJECT_NS::Dimension::shape_PNFF(sh_ref{&P, &N, &F, &F})

Shape for the product of P, N, F, and F (P * N * F * F).

Referenced by static_build_shapes().

◆ shape_PNN

Shape PROJECT_NS::Dimension::shape_PNN(sh_ref{&P, &N, &N})

Shape for the product of P, N, and N (P * N * N).

Referenced by static_build_shapes().

◆ shape_PP

Shape PROJECT_NS::Dimension::shape_PP(sh_ref{&P, &P})

Shape for the product of P and P (P * P).

Referenced by static_build_shapes().

◆ shape_X

Shape PROJECT_NS::Dimension::shape_X(1)

Shape for an arbitrary number of elements.