QMCPACK
EngineHandle Class Referenceabstract
+ Inheritance diagram for EngineHandle:
+ Collaboration diagram for EngineHandle:

Public Types

using Real = QMCTraits::RealType
 
using Value = QMCTraits::ValueType
 
using FullPrecReal = QMCTraits::FullPrecRealType
 
using FullPrecValue = QMCTraits::FullPrecValueType
 

Public Member Functions

virtual ~EngineHandle ()=default
 
virtual void prepareSampling (int num_params, int num_samples)=0
 Function for preparing derivative ratio vectors used by optimizer engines. More...
 
virtual void takeSample (const std::vector< FullPrecReal > &energy_list, const RecordArray< Value > &dlogpsi_array, const RecordArray< Value > &dhpsioverpsi_array, int base_sample_index)=0
 Function for passing derivative ratios to optimizer engines. More...
 
virtual void finishSampling ()=0
 Function for having optimizer engines execute their sample_finish functions. More...
 

Detailed Description

Definition at line 28 of file EngineHandle.h.

Member Typedef Documentation

◆ FullPrecReal

Definition at line 33 of file EngineHandle.h.

◆ FullPrecValue

Definition at line 34 of file EngineHandle.h.

◆ Real

Definition at line 31 of file EngineHandle.h.

◆ Value

Definition at line 32 of file EngineHandle.h.

Constructor & Destructor Documentation

◆ ~EngineHandle()

virtual ~EngineHandle ( )
virtualdefault

Member Function Documentation

◆ finishSampling()

virtual void finishSampling ( )
pure virtual

Function for having optimizer engines execute their sample_finish functions.

Implemented in DescentEngineHandle, and NullEngineHandle.

Referenced by QMCCostFunctionBatched::checkConfigurations().

◆ prepareSampling()

virtual void prepareSampling ( int  num_params,
int  num_samples 
)
pure virtual

Function for preparing derivative ratio vectors used by optimizer engines.

Parameters
[in]num_paramsNumber of optimizable parameters

Implemented in DescentEngineHandle, and NullEngineHandle.

Referenced by QMCCostFunctionBatched::checkConfigurations().

◆ takeSample()

virtual void takeSample ( const std::vector< FullPrecReal > &  energy_list,
const RecordArray< Value > &  dlogpsi_array,
const RecordArray< Value > &  dhpsioverpsi_array,
int  base_sample_index 
)
pure virtual

Function for passing derivative ratios to optimizer engines.

Parameters
[in]energy_listVector of local energy values
[in]dlogpsi_arrayParameter derivatives of log psi
[in]dhpsioverpsi_arrayParameter derivatives of local energy
[in]local_indexCrowd local index
[in]sample_indexIndex of sample on a MPI rank

Implemented in DescentEngineHandle, and NullEngineHandle.

Referenced by QMCCostFunctionBatched::checkConfigurations().


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