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QMCPACK
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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... | |
Definition at line 28 of file EngineHandle.h.
Definition at line 33 of file EngineHandle.h.
Definition at line 34 of file EngineHandle.h.
using Real = QMCTraits::RealType |
Definition at line 31 of file EngineHandle.h.
using Value = QMCTraits::ValueType |
Definition at line 32 of file EngineHandle.h.
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virtualdefault |
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pure virtual |
Function for having optimizer engines execute their sample_finish functions.
Implemented in DescentEngineHandle, and NullEngineHandle.
Referenced by QMCCostFunctionBatched::checkConfigurations().
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pure virtual |
Function for preparing derivative ratio vectors used by optimizer engines.
[in] | num_params | Number of optimizable parameters |
Implemented in DescentEngineHandle, and NullEngineHandle.
Referenced by QMCCostFunctionBatched::checkConfigurations().
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pure virtual |
Function for passing derivative ratios to optimizer engines.
[in] | energy_list | Vector of local energy values |
[in] | dlogpsi_array | Parameter derivatives of log psi |
[in] | dhpsioverpsi_array | Parameter derivatives of local energy |
[in] | local_index | Crowd local index |
[in] | sample_index | Index of sample on a MPI rank |
Implemented in DescentEngineHandle, and NullEngineHandle.
Referenced by QMCCostFunctionBatched::checkConfigurations().