PROJECT_NS::Kernel_Update_c Class Reference

#include <Kernel_Update_c.h>

Inheritance diagram for PROJECT_NS::Kernel_Update_c:

Collaboration diagram for PROJECT_NS::Kernel_Update_c:

Public Member Functions
	Kernel_Update_c (double scale)
virtual const std::string	getName ()
	Get the name of the kernel.
virtual int	getType () const
	Get the type of the kernel.
void	setInputParam (std::shared_ptr< Param > &PM)
	Set input parameters for the kernel and its children.
void	setInputDataSet (std::shared_ptr< DataSet > &DS)
	Set input data set for the kernel and its children.
std::shared_ptr< Param >	getParam () const
	Get the parameter associated with the kernel.
std::shared_ptr< DataSet >	getDataSet () const
	Get the data set associated with the kernel.
Status &	initializeKernel (Status &stat)
	Prepare initial conditions for the kernel and its children.
Status &	executeKernel (Status &stat)
	Execute the kernel's algorithm and those of its children.
Status &	finalizeKernel (Status &stat)
	Finalize the kernel and its children, performing any necessary cleanup.
int	getID () const
	Get the ID of the kernel.
bool	operator== (const Kernel &ker)
	Overloaded equality operator to compare two Kernel objects by their IDs.
Kernel &	appendChild (std::shared_ptr< Kernel > ker)
	Append a kernel as the last child of the current tree node.
Kernel &	insertAt (std::vector< std::size_t > indexes, std::shared_ptr< Kernel > ker)
	Insert a kernel at specified indexes in the tree.
Kernel &	removeAt (std::vector< std::size_t > indexes)
	Remove kernels at specified indexes from the tree.
Kernel &	updateAt (std::vector< std::size_t > indexes, std::shared_ptr< Kernel > ker)
	Update the kernel at specified indexes in the tree.
std::tuple< Kernel *, std::size_t >	getLastParentKernelAndChildOrder ()
	Retrieve the last parent kernel along with the order of its child kernels, if available.
std::shared_ptr< RuleSet >	getRuleSet ()
	Get RuleSet associated with the Kernel.
const std::string	generateInformationString (double total_time=-1.0f, int current_layer=0, int total_depth=0, int total_align_size=0)
	Generate a formatted string containing information about the kernel.

Static Public Member Functions
static int	dump (Kernel *ker)
static int	report (Kernel *ker)
static int	mpi_reduce_info (Kernel *ker)
static const std::string	serializeKernel (const Kernel &ker)
	Serialize a Kernel object into a string representation.
static std::shared_ptr< Kernel >	deserializeKernel (const std::string &str)
	Deserialize a string representation into a Kernel object.

Protected Member Functions
virtual void	setInputParam_impl (std::shared_ptr< Param > &PM)
	Virtual function to set input parameters for the kernel implementation.
virtual Status &	initializeKernel_impl (Status &stat)
	Virtual function to initialize the kernel implementation.
virtual Status &	finalizeKernel_impl (Status &stat)
	Virtual function to finalize the kernel implementation.

Protected Attributes
bool	is_timing = false
	Flag indicating whether timing is enabled for this kernel.
bool	has_parent = false
	Flag indicating whether the kernel has a parent.
int	count_calc = 0
	Counter for the number of calculations performed by this kernel.
int	count_exec = 0
	Counter for the number of executions performed by this kernel.
int	kernel_id = 0
	ID of the kernel.
int	kernel_type = 0
	Type of the kernel.
double	exec_time = 0.0f
	Total execution time of the kernel.
int	depth = 0
	Depth of the kernel in the tree structure.
int	max_align_size = 0
	Maximum alignment size used by this kernel.
std::string	kernel_name
	Name of the kernel.
std::shared_ptr< Param >	_param
	Shared pointer to the Param object associated with this kernel.
std::shared_ptr< DataSet >	_dataset
	Shared pointer to the DataSet object associated with this kernel.
std::shared_ptr< RuleSet >	_ruleset
	Recorded Rules associated with the Kernel.
Kernel *	_parent_kernel
	Pointer to the parent kernel.
std::size_t	_order_in_parent
	Order of this kernel in its parent's children.
std::vector< std::shared_ptr< Kernel > >	_child_kernels
	Vector containing shared pointers to the child kernels of this kernel.
std::vector< std::shared_ptr< Kernel > >	_all_kernels
	Vector containing shared pointers to all descendant kernels of this kernel.

Private Member Functions
virtual void	setInputDataSet_impl (std::shared_ptr< DataSet > &DS)
	Virtual function to set input data set for the kernel implementation.
virtual Status &	executeKernel_impl (Status &stat)
	Virtual function to execute the kernel implementation.
void	connectRelatedKernels (std::shared_ptr< Kernel > &ker)
	Connect related kernels to this kernel.

Static Private Member Functions
static std::map< std::string, Kernel * > &	getDictOfKernels ()
	Get the dictionary of kernels (mapping from names to kernel pointers).
static std::vector< Kernel * > &	getKernels ()
	Get the vector of all kernel pointers.

Private Attributes
kids_complex *	Udt
	short time propagator
kids_complex *	U
	full propagator along classical path approximation (CPA)
kids_real *	E
	Eigenvalue for diabatic V.
kids_real *	T
	Eigenvector for diabatic V.
kids_real *	L
	Eigenvalue for adiabatic effective Hamiltonian Heff = Eδ - id*P/M.
kids_complex *	R
	Eigenvector for adiabatic effective Hamiltonian Heff = Eδ - id*P/M.
kids_complex *	invexpidiagdt
	temporary variables
double	scale
double *	dt_ptr
kids_bint *	succ_ptr
kids_bint *	frez_ptr

Detailed Description

Definition at line 8 of file Kernel_Update_c.h.

Constructor & Destructor Documentation

Kernel_Update_c()

PROJECT_NS::Kernel_Update_c::Kernel_Update_c ( double scale )

inline

Definition at line 10 of file Kernel_Update_c.h.

Member Function Documentation

appendChild()

Kernel & Kernel::appendChild ( std::shared_ptr< Kernel > ker )

inherited

Append a kernel as the last child of the current tree node.

Parameters

ker	The kernel to append as the last child.

Returns

Reference to the modified kernel.

Definition at line 78 of file Kernel.cpp.

References PROJECT_NS::Kernel::_child_kernels, PROJECT_NS::Kernel::_order_in_parent, PROJECT_NS::Kernel::_ruleset, PROJECT_NS::Kernel::depth, PROJECT_NS::Kernel::getLastParentKernelAndChildOrder(), and PROJECT_NS::Kernel::max_align_size.

Referenced by PROJECT_NS::Kernel_Elec_NAD::Kernel_Elec_NAD(), PROJECT_NS::Kernel_Elec_Switch::Kernel_Elec_Switch(), PROJECT_NS::Kernel_GWP::Kernel_GWP(), PROJECT_NS::Model_ElectronTransfer::Model_ElectronTransfer(), and PROJECT_NS::Model_SystemBath::Model_SystemBath().

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connectRelatedKernels()

void Kernel::connectRelatedKernels ( std::shared_ptr< Kernel > & ker )

privateinherited

Connect related kernels to this kernel.

This function connects related kernels to the current kernel. Related kernels are kernels that are associated with or connected to this kernel in some way.

Note

The exact definition of "related kernels" may vary depending on the context and application.

Definition at line 228 of file Kernel.cpp.

References PROJECT_NS::Kernel::_all_kernels, and PROJECT_NS::Kernel::connectRelatedKernels().

Referenced by PROJECT_NS::Kernel::connectRelatedKernels().

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deserializeKernel()

std::shared_ptr< Kernel > Kernel::deserializeKernel ( const std::string & str )

staticinherited

Deserialize a string representation into a Kernel object.

Parameters

str	The string containing the serialized Kernel object.

Returns

A shared pointer to the deserialized Kernel object.

Definition at line 187 of file Kernel.cpp.

dump()

static int PROJECT_NS::Kernel::dump ( Kernel * ker )

inlinestaticinherited

Definition at line 71 of file Kernel.h.

executeKernel()

Status & Kernel::executeKernel ( Status & stat )

inherited

Execute the kernel's algorithm and those of its children.

Parameters

stat	The status object to store execution status.

Returns

The status object after execution.

Definition at line 48 of file Kernel.cpp.

References PROJECT_NS::Kernel::_child_kernels, PROJECT_NS::Kernel::_dataset, PROJECT_NS::Kernel::_ruleset, PROJECT_NS::Kernel::count_exec, PROJECT_NS::Kernel::exec_time, PROJECT_NS::Kernel::executeKernel_impl(), PROJECT_NS::Kernel::has_parent, and PROJECT_NS::Kernel::is_timing.

Referenced by PROJECT_NS::Kernel_Conserve::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_NADForce::initializeKernel_impl(), PROJECT_NS::Kernel_Representation::initializeKernel_impl(), PROJECT_NS::Model_ElectronTransfer::initializeKernel_impl(), PROJECT_NS::Model_LVCM::initializeKernel_impl(), PROJECT_NS::Model_NAD1D::initializeKernel_impl(), and PROJECT_NS::Model_SystemBath::initializeKernel_impl().

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executeKernel_impl()

Status & PROJECT_NS::Kernel_Update_c::executeKernel_impl ( Status & stat )

privatevirtual

Virtual function to execute the kernel implementation.

Parameters

stat	Status object to store execution status.

Returns

Status object after execution.

Reimplemented from PROJECT_NS::Kernel.

Definition at line 29 of file Kernel_Update_c.cpp.

References ARRAY_MATMUL, ARRAY_MATMUL3_TRANS2, dt_ptr, E, PROJECT_NS::Kernel_Representation::ele_repr_type, PROJECT_NS::Dimension::F, PROJECT_NS::Dimension::FF, frez_ptr, phys::math::im(), invexpidiagdt, L, PROJECT_NS::Dimension::P, R, scale, T, U, and Udt.

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finalizeKernel()

Status & Kernel::finalizeKernel ( Status & stat )

inherited

Finalize the kernel and its children, performing any necessary cleanup.

Parameters

stat	The status object to store finalization status.

Returns

The status object after finalization.

Definition at line 66 of file Kernel.cpp.

References PROJECT_NS::Kernel::_child_kernels, and PROJECT_NS::Kernel::finalizeKernel_impl().

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finalizeKernel_impl()

Status & Kernel::finalizeKernel_impl ( Status & stat )

protectedvirtualinherited

Virtual function to finalize the kernel implementation.

Parameters

stat	Status object to store finalization status.

Returns

Status object after finalization.

Reimplemented in PROJECT_NS::Kernel_Recorder.

Definition at line 226 of file Kernel.cpp.

Referenced by PROJECT_NS::Kernel::finalizeKernel().

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generateInformationString()

const std::string Kernel::generateInformationString ( double total_time = -1.0f, int current_layer = 0, int total_depth = 0, int total_align_size = 0 )

inherited

Generate a formatted string containing information about the kernel.

This function generates a formatted string containing information about the kernel, including its total time, current layer, total depth, and total alignment size.

Parameters

total_time	The total time taken by the kernel (default: -1.0f).
current_layer	The current layer of the kernel (default: 0).
total_depth	The total depth of the kernel (default: 0).
total_align_size	The total alignment size of the kernel (default: 0).

Returns

A formatted string containing kernel information.

Definition at line 189 of file Kernel.cpp.

References PROJECT_NS::Kernel::_child_kernels, PROJECT_NS::Kernel::depth, PROJECT_NS::Kernel::exec_time, PROJECT_NS::Kernel::getName(), PROJECT_NS::Kernel::kernel_id, and PROJECT_NS::Kernel::max_align_size.

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getDataSet()

std::shared_ptr< DataSet > Kernel::getDataSet ( ) const

inherited

Get the data set associated with the kernel.

Returns

Shared pointer to the DataSet object.

Definition at line 37 of file Kernel.cpp.

References PROJECT_NS::Kernel::_dataset.

getDictOfKernels()

static std::map< std::string, Kernel * > & PROJECT_NS::Kernel::getDictOfKernels ( )

staticprivateinherited

Get the dictionary of kernels (mapping from names to kernel pointers).

This function returns a reference to the static map containing the dictionary of kernels. The dictionary maps kernel names to their corresponding kernel pointers.

Returns

A reference to the dictionary of kernels.

getID()

int Kernel::getID ( ) const

inherited

Get the ID of the kernel.

Returns

The ID of the kernel.

Definition at line 74 of file Kernel.cpp.

References PROJECT_NS::Kernel::kernel_id.

Referenced by PROJECT_NS::Kernel_Prioritization::getName(), and PROJECT_NS::Kernel::operator==().

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getKernels()

std::vector< Kernel * > & Kernel::getKernels ( )

staticprivateinherited

Get the vector of all kernel pointers.

This function returns a reference to the static vector containing pointers to all kernels.

Returns

A reference to the vector of all kernel pointers.

Definition at line 247 of file Kernel.cpp.

Referenced by PROJECT_NS::Kernel::Kernel().

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getLastParentKernelAndChildOrder()

std::tuple< Kernel *, std::size_t > Kernel::getLastParentKernelAndChildOrder ( )

inherited

Retrieve the last parent kernel along with the order of its child kernels, if available.

Returns

A tuple containing a pointer to the last parent kernel and the order of its child kernels.

Definition at line 178 of file Kernel.cpp.

References PROJECT_NS::Kernel::_order_in_parent, PROJECT_NS::Kernel::_parent_kernel, and PROJECT_NS::Kernel::has_parent.

Referenced by PROJECT_NS::Kernel::appendChild(), PROJECT_NS::Kernel::insertAt(), and PROJECT_NS::Kernel::updateAt().

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getName()

const std::string PROJECT_NS::Kernel_Update_c::getName ( )

virtual

Get the name of the kernel.

Returns the concatenated name of the kernel, prefixed with "Kernel__".

Returns

The name of the kernel.

Reimplemented from PROJECT_NS::Kernel.

Definition at line 12 of file Kernel_Update_c.cpp.

getParam()

std::shared_ptr< Param > Kernel::getParam ( ) const

inherited

Get the parameter associated with the kernel.

Returns

Shared pointer to the Param object.

Definition at line 35 of file Kernel.cpp.

References PROJECT_NS::Kernel::_param.

getRuleSet()

std::shared_ptr< RuleSet > Kernel::getRuleSet ( )

inherited

Get RuleSet associated with the Kernel.

Returns

The RuleSet (name, dataPointer, datatype, size, stride).

Definition at line 183 of file Kernel.cpp.

References PROJECT_NS::Kernel::_ruleset.

getType()

int PROJECT_NS::Kernel_Update_c::getType ( ) const

virtual

Get the type of the kernel.

This function returns the type of the kernel.

Note

This function should be implemented in derived classes to return the specific type of the kernel.

Returns

The type of the kernel.

Reimplemented from PROJECT_NS::Kernel.

Definition at line 14 of file Kernel_Update_c.cpp.

References FUNCTION_NAME, and utils::hash().

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initializeKernel()

Status & Kernel::initializeKernel ( Status & stat )

inherited

Prepare initial conditions for the kernel and its children.

Parameters

stat	The status object to store initialization status.

Returns

The status object after initialization.

Definition at line 39 of file Kernel.cpp.

References PROJECT_NS::Kernel::_child_kernels, PROJECT_NS::Kernel::_dataset, PROJECT_NS::Kernel::count_calc, and PROJECT_NS::Kernel::initializeKernel_impl().

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initializeKernel_impl()

Status & Kernel::initializeKernel_impl ( Status & stat )

protectedvirtualinherited

Virtual function to initialize the kernel implementation.

Parameters

stat	Status object to store initialization status.

Returns

Status object after initialization.

Reimplemented in PROJECT_NS::Kernel_Conserve, PROJECT_NS::Kernel_Dump_DataSet, PROJECT_NS::Kernel_Elec, PROJECT_NS::Kernel_Elec_NAD, PROJECT_NS::Kernel_Elec_Switch, PROJECT_NS::Kernel_GWP, PROJECT_NS::Kernel_Iter, PROJECT_NS::Kernel_Iter_Adapt, PROJECT_NS::Kernel_NADForce, PROJECT_NS::Kernel_Prioritization, PROJECT_NS::Kernel_Random, PROJECT_NS::Kernel_Recorder, PROJECT_NS::Kernel_Representation, PROJECT_NS::Kernel_Update_p, PROJECT_NS::Model_ElectronTransfer, PROJECT_NS::Model_Interf_MNDO, PROJECT_NS::Model_LVCM, PROJECT_NS::Model_HO, PROJECT_NS::Model_NAD1D, and PROJECT_NS::Model_SystemBath.

Definition at line 222 of file Kernel.cpp.

Referenced by PROJECT_NS::Kernel::initializeKernel().

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insertAt()

Kernel & Kernel::insertAt ( std::vector< std::size_t > indexes, std::shared_ptr< Kernel > ker )

inherited

Insert a kernel at specified indexes in the tree.

Parameters

indexes	Indexes indicating the position to insert the kernel.
ker	The kernel to insert.

Returns

Reference to the modified kernel.

Definition at line 102 of file Kernel.cpp.

References PROJECT_NS::Kernel::_child_kernels, PROJECT_NS::Kernel::_ruleset, and PROJECT_NS::Kernel::getLastParentKernelAndChildOrder().

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mpi_reduce_info()

static int PROJECT_NS::Kernel::mpi_reduce_info ( Kernel * ker )

inlinestaticinherited

Definition at line 75 of file Kernel.h.

operator==()

bool Kernel::operator== ( const Kernel & ker )

inherited

Overloaded equality operator to compare two Kernel objects by their IDs.

Parameters

ker	The Kernel object to compare with.

Returns

True if the IDs of the two kernels are equal, otherwise false.

Definition at line 76 of file Kernel.cpp.

References PROJECT_NS::Kernel::getID().

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removeAt()

Kernel & Kernel::removeAt ( std::vector< std::size_t > indexes )

inherited

Remove kernels at specified indexes from the tree.

Parameters

indexes

Indexes indicating the kernels to remove.

Returns

Reference to the modified kernel.

Definition at line 128 of file Kernel.cpp.

References PROJECT_NS::Kernel::_child_kernels.

report()

static int PROJECT_NS::Kernel::report ( Kernel * ker )

inlinestaticinherited

Definition at line 73 of file Kernel.h.

serializeKernel()

const std::string Kernel::serializeKernel ( const Kernel & ker )

staticinherited

Serialize a Kernel object into a string representation.

Parameters

ker	The Kernel object to serialize.

Returns

A string representing the serialized Kernel object.

Definition at line 185 of file Kernel.cpp.

setInputDataSet()

void Kernel::setInputDataSet ( std::shared_ptr< DataSet > & DS )

inherited

Set input data set for the kernel and its children.

Parameters

DS	Shared pointer to the DataSet object.

Definition at line 28 of file Kernel.cpp.

References PROJECT_NS::Kernel::_child_kernels, PROJECT_NS::Kernel::_dataset, PROJECT_NS::Kernel::_param, and PROJECT_NS::Kernel::setInputDataSet_impl().

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setInputDataSet_impl()

void PROJECT_NS::Kernel_Update_c::setInputDataSet_impl ( std::shared_ptr< DataSet > & DS )

privatevirtual

Virtual function to set input data set for the kernel implementation.

Parameters

DS	Shared pointer to the DataSet object containing input data.

Reimplemented from PROJECT_NS::Kernel.

Definition at line 16 of file Kernel_Update_c.cpp.

References PROJECT_NS::DATA::iter::dt, dt_ptr, PROJECT_NS::DATA::model::rep::E, E, PROJECT_NS::DATA::iter::frez, frez_ptr, PROJECT_NS::DATA::integrator::tmp::invexpidiagdt, invexpidiagdt, PROJECT_NS::DATA::model::rep::L, L, PROJECT_NS::DATA::model::rep::R, R, PROJECT_NS::DATA::iter::succ, succ_ptr, PROJECT_NS::DATA::model::rep::T, T, PROJECT_NS::DATA::integrator::U, U, PROJECT_NS::DATA::integrator::Udt, and Udt.

setInputParam()

void Kernel::setInputParam ( std::shared_ptr< Param > & PM )

inherited

Set input parameters for the kernel and its children.

Parameters

PM	Shared pointer to the Param object.

Definition at line 21 of file Kernel.cpp.

References PROJECT_NS::Kernel::_child_kernels, PROJECT_NS::Kernel::_param, PROJECT_NS::Kernel::is_timing, LOC, and PROJECT_NS::Kernel::setInputParam_impl().

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setInputParam_impl()

void Kernel::setInputParam_impl ( std::shared_ptr< Param > & PM )

protectedvirtualinherited

Virtual function to set input parameters for the kernel implementation.

Parameters

PM	Shared pointer to the Param object containing input parameters.

Reimplemented in PROJECT_NS::Kernel_Conserve, PROJECT_NS::Kernel_Dump_DataSet, PROJECT_NS::Kernel_Elec, PROJECT_NS::Kernel_Elec_NAD, PROJECT_NS::Kernel_Elec_Switch, PROJECT_NS::Kernel_GWP, PROJECT_NS::Kernel_Iter, PROJECT_NS::Kernel_Iter_Adapt, PROJECT_NS::Kernel_Load_DataSet, PROJECT_NS::Kernel_NADForce, PROJECT_NS::Kernel_Prioritization, PROJECT_NS::Kernel_Read_Dimensions, PROJECT_NS::Kernel_Recorder, PROJECT_NS::Kernel_Representation, PROJECT_NS::Kernel_Update_T, PROJECT_NS::Model_Bath, PROJECT_NS::Model_ElectronTransfer, PROJECT_NS::Model_Hello, PROJECT_NS::Model_Interf_MNDO, PROJECT_NS::Model_LVCM, PROJECT_NS::Model_NAD1D, and PROJECT_NS::Model_SystemBath.

Definition at line 218 of file Kernel.cpp.

Referenced by PROJECT_NS::Kernel::setInputParam().

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updateAt()

Kernel & Kernel::updateAt ( std::vector< std::size_t > indexes, std::shared_ptr< Kernel > ker )

inherited

Update the kernel at specified indexes in the tree.

build tree structure of the kernel

Parameters

indexes	Indexes indicating the kernel to update.
ker	The kernel to update with.

Returns

Reference to the modified kernel.

Definition at line 147 of file Kernel.cpp.

References PROJECT_NS::Kernel::_child_kernels, PROJECT_NS::Kernel::_ruleset, and PROJECT_NS::Kernel::getLastParentKernelAndChildOrder().

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Member Data Documentation

_all_kernels

std::vector<std::shared_ptr<Kernel> > PROJECT_NS::Kernel::_all_kernels

protectedinherited

Vector containing shared pointers to all descendant kernels of this kernel.

Definition at line 303 of file Kernel.h.

Referenced by PROJECT_NS::Kernel::connectRelatedKernels().

_child_kernels

std::vector<std::shared_ptr<Kernel> > PROJECT_NS::Kernel::_child_kernels

protectedinherited

Vector containing shared pointers to the child kernels of this kernel.

Definition at line 298 of file Kernel.h.

Referenced by PROJECT_NS::Kernel::appendChild(), PROJECT_NS::Kernel::executeKernel(), PROJECT_NS::Kernel_Iter::executeKernel_impl(), PROJECT_NS::Kernel_Iter_Adapt::executeKernel_impl(), PROJECT_NS::Kernel::finalizeKernel(), PROJECT_NS::Kernel::generateInformationString(), PROJECT_NS::Kernel::initializeKernel(), PROJECT_NS::Kernel::insertAt(), PROJECT_NS::Kernel::removeAt(), PROJECT_NS::Kernel::setInputDataSet(), PROJECT_NS::Model_ElectronTransfer::setInputDataSet_impl(), PROJECT_NS::Model_SystemBath::setInputDataSet_impl(), PROJECT_NS::Kernel::setInputParam(), and PROJECT_NS::Kernel::updateAt().

_dataset

std::shared_ptr<DataSet> PROJECT_NS::Kernel::_dataset

protectedinherited

Shared pointer to the DataSet object associated with this kernel.

Definition at line 278 of file Kernel.h.

Referenced by PROJECT_NS::Kernel::executeKernel(), PROJECT_NS::Kernel_Dump_DataSet::executeKernel_impl(), PROJECT_NS::Kernel_Iter_Adapt::executeKernel_impl(), PROJECT_NS::Kernel_Load_DataSet::executeKernel_impl(), PROJECT_NS::Kernel::getDataSet(), PROJECT_NS::Kernel::initializeKernel(), PROJECT_NS::Kernel_Dump_DataSet::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_Representation::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_standard(), PROJECT_NS::Kernel::setInputDataSet(), and PROJECT_NS::Kernel_Recorder::token().

_order_in_parent

std::size_t PROJECT_NS::Kernel::_order_in_parent

protectedinherited

Order of this kernel in its parent's children.

Definition at line 293 of file Kernel.h.

Referenced by PROJECT_NS::Kernel::appendChild(), and PROJECT_NS::Kernel::getLastParentKernelAndChildOrder().

_param

std::shared_ptr<Param> PROJECT_NS::Kernel::_param

protectedinherited

Shared pointer to the Param object associated with this kernel.

Definition at line 273 of file Kernel.h.

Referenced by PROJECT_NS::Kernel_Iter_Adapt::executeKernel_impl(), PROJECT_NS::Kernel::getParam(), PROJECT_NS::Kernel_Elec_NAD::initializeKernel_impl(), PROJECT_NS::Kernel_Elec_Switch::initializeKernel_impl(), PROJECT_NS::Kernel_Recorder::initializeKernel_impl(), PROJECT_NS::Model_Interf_MNDO::initializeKernel_impl(), PROJECT_NS::Kernel::setInputDataSet(), PROJECT_NS::Model_Bath::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::setInputParam(), PROJECT_NS::Kernel_NADForce::setInputParam_impl(), PROJECT_NS::Model_Bath::setInputParam_impl(), PROJECT_NS::Model_ElectronTransfer::setInputParam_impl(), PROJECT_NS::Model_LVCM::setInputParam_impl(), PROJECT_NS::Model_NAD1D::setInputParam_impl(), and PROJECT_NS::Model_SystemBath::setInputParam_impl().

_parent_kernel

Kernel* PROJECT_NS::Kernel::_parent_kernel

protectedinherited

Pointer to the parent kernel.

Definition at line 288 of file Kernel.h.

Referenced by PROJECT_NS::Kernel::getLastParentKernelAndChildOrder().

_ruleset

std::shared_ptr<RuleSet> PROJECT_NS::Kernel::_ruleset

protectedinherited

Recorded Rules associated with the Kernel.

Definition at line 283 of file Kernel.h.

Referenced by PROJECT_NS::Kernel::appendChild(), PROJECT_NS::Kernel::executeKernel(), PROJECT_NS::Kernel_Recorder::executeKernel_impl(), PROJECT_NS::Kernel_Recorder::finalizeKernel_impl(), PROJECT_NS::Kernel::getRuleSet(), PROJECT_NS::Kernel_Recorder::initializeKernel_impl(), PROJECT_NS::Kernel::insertAt(), PROJECT_NS::Kernel_Recorder::Kernel_Recorder(), PROJECT_NS::Kernel_Recorder::token(), and PROJECT_NS::Kernel::updateAt().

dt_ptr

double * PROJECT_NS::Kernel_Update_c::dt_ptr

private

Definition at line 30 of file Kernel_Update_c.h.

Referenced by executeKernel_impl(), and setInputDataSet_impl().

E

kids_real* PROJECT_NS::Kernel_Update_c::E

private

Eigenvalue for diabatic V.

Definition at line 21 of file Kernel_Update_c.h.

Referenced by executeKernel_impl(), and setInputDataSet_impl().

frez_ptr

kids_bint* PROJECT_NS::Kernel_Update_c::frez_ptr

private

Definition at line 32 of file Kernel_Update_c.h.

Referenced by executeKernel_impl(), and setInputDataSet_impl().

invexpidiagdt

kids_complex* PROJECT_NS::Kernel_Update_c::invexpidiagdt

private

temporary variables

Definition at line 28 of file Kernel_Update_c.h.

Referenced by executeKernel_impl(), and setInputDataSet_impl().

L

kids_real* PROJECT_NS::Kernel_Update_c::L

private

Eigenvalue for adiabatic effective Hamiltonian Heff = Eδ - id*P/M.

Definition at line 25 of file Kernel_Update_c.h.

Referenced by executeKernel_impl(), and setInputDataSet_impl().

R

kids_complex* PROJECT_NS::Kernel_Update_c::R

private

Eigenvector for adiabatic effective Hamiltonian Heff = Eδ - id*P/M.

Definition at line 26 of file Kernel_Update_c.h.

Referenced by executeKernel_impl(), and setInputDataSet_impl().

scale

double PROJECT_NS::Kernel_Update_c::scale

private

Definition at line 30 of file Kernel_Update_c.h.

Referenced by executeKernel_impl().

succ_ptr

kids_bint* PROJECT_NS::Kernel_Update_c::succ_ptr

private

Definition at line 31 of file Kernel_Update_c.h.

Referenced by setInputDataSet_impl().

T

kids_real* PROJECT_NS::Kernel_Update_c::T

private

Eigenvector for diabatic V.

solve Adiabatic propagator

Definition at line 22 of file Kernel_Update_c.h.

Referenced by executeKernel_impl(), and setInputDataSet_impl().

U

kids_complex* PROJECT_NS::Kernel_Update_c::U

private

full propagator along classical path approximation (CPA)

solve Diabatic propagator

Definition at line 18 of file Kernel_Update_c.h.

Referenced by executeKernel_impl(), and setInputDataSet_impl().

Udt

kids_complex* PROJECT_NS::Kernel_Update_c::Udt

private

short time propagator

Definition at line 17 of file Kernel_Update_c.h.

Referenced by executeKernel_impl(), and setInputDataSet_impl().

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

• Kernel_Update_c.h
• Kernel_Update_c.cpp