KIDS  ver-0.0.1
KIDS : Kernel Integrated Dynamics Simulator
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Public Member Functions | Static Public Member Functions | Protected Member Functions | Protected Attributes | Private Member Functions | Static Private Member Functions | Private Attributes | List of all members
PROJECT_NS::Kernel_Iter_Adapt Class Referencefinal

#include <Kernel_Iter_Adapt.h>

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Public Member Functions

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 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 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 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

double t0
 
double * t0_ptr
 
double t
 
double * t_ptr
 
double dt
 
double * dt_ptr
 
double tend
 
double * tend_ptr
 
kids_bint * at_samplingstep_initially_ptr
 
kids_bint * at_samplingstep_finally_ptr
 
kids_bint * succ_ptr
 
kids_bint * frez_ptr
 
kids_bint * last_attempt_ptr
 
int * fail_type_ptr
 
int msize
 
int * tsize_ptr
 
int * dtsize_ptr
 
int sstep
 
int * sstep_ptr
 
int istep
 
int * istep_ptr
 
int nstep
 
int * nstep_ptr
 
int isamp
 
int * isamp_ptr
 
int nsamp
 
int * nsamp_ptr
 
int nbackup
 
double time_unit
 
const std::vector< std::string > backup_fields = {"x", "p", "U", "occ_nuc", "f", "Ekin", "Epot"}
 

Detailed Description

Definition at line 8 of file Kernel_Iter_Adapt.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
kerThe 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
strThe 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
statThe 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_Iter_Adapt::executeKernel_impl ( Status & stat)
privatevirtual

Virtual function to execute the kernel implementation.

Parameters
statStatus object to store execution status.
Returns
Status object after execution.

< current time-point tick

< next time-point tick after loop

Reimplemented from PROJECT_NS::Kernel.

Definition at line 70 of file Kernel_Iter_Adapt.cpp.

References PROJECT_NS::Kernel::_child_kernels, PROJECT_NS::Kernel::_dataset, PROJECT_NS::Kernel::_param, at_samplingstep_finally_ptr, at_samplingstep_initially_ptr, backup_fields, utils::concat(), dt, dt_ptr, dtsize_ptr, frez_ptr, PROJECT_NS::Status::icalc, isamp_ptr, istep_ptr, last_attempt_ptr, LOC, msize, nbackup, nstep, sstep, succ_ptr, t0, t_ptr, tend, time_unit, and tsize_ptr.

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◆ finalizeKernel()

Status & Kernel::finalizeKernel ( Status & stat)
inherited

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

Parameters
statThe 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
statStatus 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_timeThe total time taken by the kernel (default: -1.0f).
current_layerThe current layer of the kernel (default: 0).
total_depthThe total depth of the kernel (default: 0).
total_align_sizeThe 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_Iter_Adapt::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 14 of file Kernel_Iter_Adapt.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_Iter_Adapt::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 16 of file Kernel_Iter_Adapt.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
statThe 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 & PROJECT_NS::Kernel_Iter_Adapt::initializeKernel_impl ( Status & stat)
privatevirtual

Virtual function to initialize the kernel implementation.

Parameters
statStatus object to store initialization status.
Returns
Status object after initialization.

Reimplemented from PROJECT_NS::Kernel.

Definition at line 55 of file Kernel_Iter_Adapt.cpp.

References dt, dt_ptr, dtsize_ptr, fail_type_ptr, frez_ptr, isamp_ptr, istep_ptr, last_attempt_ptr, msize, succ_ptr, t0, t_ptr, and tsize_ptr.

◆ 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
indexesIndexes indicating the position to insert the kernel.
kerThe 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
kerThe 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
indexesIndexes 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
kerThe 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
DSShared 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_Iter_Adapt::setInputDataSet_impl ( std::shared_ptr< DataSet > & DS)
privatevirtual

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

Parameters
DSShared pointer to the DataSet object containing input data.

Reimplemented from PROJECT_NS::Kernel.

Definition at line 32 of file Kernel_Iter_Adapt.cpp.

References PROJECT_NS::DATA::iter::at_samplingstep_finally, at_samplingstep_finally_ptr, PROJECT_NS::DATA::iter::at_samplingstep_initially, at_samplingstep_initially_ptr, PROJECT_NS::DATA::iter::dt, dt_ptr, PROJECT_NS::DATA::iter::dtsize, dtsize_ptr, PROJECT_NS::DATA::iter::fail_type, fail_type_ptr, PROJECT_NS::DATA::iter::frez, frez_ptr, PROJECT_NS::DATA::iter::isamp, isamp_ptr, PROJECT_NS::DATA::iter::istep, istep_ptr, PROJECT_NS::DATA::iter::last_attempt, last_attempt_ptr, msize, nsamp, nstep, sstep, PROJECT_NS::DATA::iter::succ, succ_ptr, PROJECT_NS::DATA::iter::t, t_ptr, PROJECT_NS::DATA::iter::tsize, and tsize_ptr.

◆ setInputParam()

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

Set input parameters for the kernel and its children.

Parameters
PMShared 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 PROJECT_NS::Kernel_Iter_Adapt::setInputParam_impl ( std::shared_ptr< Param > & PM)
privatevirtual

Virtual function to set input parameters for the kernel implementation.

Parameters
PMShared pointer to the Param object containing input parameters.

Reimplemented from PROJECT_NS::Kernel.

Definition at line 18 of file Kernel_Iter_Adapt.cpp.

References dt, LOC, msize, nbackup, nsamp, nstep, sstep, t0, tend, phys::time_d, and time_unit.

◆ 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
indexesIndexes indicating the kernel to update.
kerThe 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(), 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(), 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 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().

◆ at_samplingstep_finally_ptr

kids_bint* PROJECT_NS::Kernel_Iter_Adapt::at_samplingstep_finally_ptr
private

Definition at line 20 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), and setInputDataSet_impl().

◆ at_samplingstep_initially_ptr

kids_bint* PROJECT_NS::Kernel_Iter_Adapt::at_samplingstep_initially_ptr
private

Definition at line 19 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), and setInputDataSet_impl().

◆ backup_fields

const std::vector<std::string> PROJECT_NS::Kernel_Iter_Adapt::backup_fields = {"x", "p", "U", "occ_nuc", "f", "Ekin", "Epot"}
private

Definition at line 35 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl().

◆ dt

double PROJECT_NS::Kernel_Iter_Adapt::dt
private

Definition at line 17 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), initializeKernel_impl(), and setInputParam_impl().

◆ dt_ptr

double * PROJECT_NS::Kernel_Iter_Adapt::dt_ptr
private

Definition at line 17 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), initializeKernel_impl(), and setInputDataSet_impl().

◆ dtsize_ptr

int * PROJECT_NS::Kernel_Iter_Adapt::dtsize_ptr
private

Definition at line 27 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), initializeKernel_impl(), and setInputDataSet_impl().

◆ fail_type_ptr

int* PROJECT_NS::Kernel_Iter_Adapt::fail_type_ptr
private

Definition at line 25 of file Kernel_Iter_Adapt.h.

Referenced by initializeKernel_impl(), and setInputDataSet_impl().

◆ frez_ptr

kids_bint* PROJECT_NS::Kernel_Iter_Adapt::frez_ptr
private

Definition at line 23 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), initializeKernel_impl(), and setInputDataSet_impl().

◆ isamp

int PROJECT_NS::Kernel_Iter_Adapt::isamp
private

Definition at line 30 of file Kernel_Iter_Adapt.h.

◆ isamp_ptr

int * PROJECT_NS::Kernel_Iter_Adapt::isamp_ptr
private

Definition at line 30 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), initializeKernel_impl(), and setInputDataSet_impl().

◆ istep

int PROJECT_NS::Kernel_Iter_Adapt::istep
private

Definition at line 29 of file Kernel_Iter_Adapt.h.

◆ istep_ptr

int * PROJECT_NS::Kernel_Iter_Adapt::istep_ptr
private

Definition at line 29 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), initializeKernel_impl(), and setInputDataSet_impl().

◆ last_attempt_ptr

kids_bint* PROJECT_NS::Kernel_Iter_Adapt::last_attempt_ptr
private

Definition at line 24 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), initializeKernel_impl(), and setInputDataSet_impl().

◆ msize

int PROJECT_NS::Kernel_Iter_Adapt::msize
private

Definition at line 27 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), initializeKernel_impl(), setInputDataSet_impl(), and setInputParam_impl().

◆ nbackup

int PROJECT_NS::Kernel_Iter_Adapt::nbackup
private

Definition at line 31 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), and setInputParam_impl().

◆ nsamp

int PROJECT_NS::Kernel_Iter_Adapt::nsamp
private

Definition at line 30 of file Kernel_Iter_Adapt.h.

Referenced by setInputDataSet_impl(), and setInputParam_impl().

◆ nsamp_ptr

int * PROJECT_NS::Kernel_Iter_Adapt::nsamp_ptr
private

Definition at line 30 of file Kernel_Iter_Adapt.h.

◆ nstep

int PROJECT_NS::Kernel_Iter_Adapt::nstep
private

Definition at line 29 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), setInputDataSet_impl(), and setInputParam_impl().

◆ nstep_ptr

int * PROJECT_NS::Kernel_Iter_Adapt::nstep_ptr
private

Definition at line 29 of file Kernel_Iter_Adapt.h.

◆ sstep

int PROJECT_NS::Kernel_Iter_Adapt::sstep
private

Definition at line 28 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), setInputDataSet_impl(), and setInputParam_impl().

◆ sstep_ptr

int * PROJECT_NS::Kernel_Iter_Adapt::sstep_ptr
private

Definition at line 28 of file Kernel_Iter_Adapt.h.

◆ succ_ptr

kids_bint* PROJECT_NS::Kernel_Iter_Adapt::succ_ptr
private

Definition at line 22 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), initializeKernel_impl(), and setInputDataSet_impl().

◆ t

double PROJECT_NS::Kernel_Iter_Adapt::t
private

Definition at line 16 of file Kernel_Iter_Adapt.h.

◆ t0

double PROJECT_NS::Kernel_Iter_Adapt::t0
private

Definition at line 15 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), initializeKernel_impl(), and setInputParam_impl().

◆ t0_ptr

double * PROJECT_NS::Kernel_Iter_Adapt::t0_ptr
private

Definition at line 15 of file Kernel_Iter_Adapt.h.

◆ t_ptr

double * PROJECT_NS::Kernel_Iter_Adapt::t_ptr
private

Definition at line 16 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), initializeKernel_impl(), and setInputDataSet_impl().

◆ tend

double PROJECT_NS::Kernel_Iter_Adapt::tend
private

Definition at line 18 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), and setInputParam_impl().

◆ tend_ptr

double * PROJECT_NS::Kernel_Iter_Adapt::tend_ptr
private

Definition at line 18 of file Kernel_Iter_Adapt.h.

◆ time_unit

double PROJECT_NS::Kernel_Iter_Adapt::time_unit
private

Definition at line 33 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), and setInputParam_impl().

◆ tsize_ptr

int * PROJECT_NS::Kernel_Iter_Adapt::tsize_ptr
private

Definition at line 27 of file Kernel_Iter_Adapt.h.

Referenced by executeKernel_impl(), initializeKernel_impl(), and setInputDataSet_impl().

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