QMCPACK
FakeUpdate Class Reference
+ Inheritance diagram for FakeUpdate:
+ Collaboration diagram for FakeUpdate:

Public Member Functions

 FakeUpdate (MCWalkerConfiguration &w, TrialWaveFunction &psi, QMCHamiltonian &h, FakeRandom< QMCTraits::FullPrecRealType > &rg)
 
void advanceWalker (Walker_t &thisWalker, bool recompute) override
 move a walker More...
 
- Public Member Functions inherited from QMCUpdateBase
 QMCUpdateBase (MCWalkerConfiguration &w, TrialWaveFunction &psi, QMCHamiltonian &h, RandomBase< FullPrecRealType > &rg)
 Constructor. More...
 
 QMCUpdateBase (MCWalkerConfiguration &w, TrialWaveFunction &psi, TrialWaveFunction &guide, QMCHamiltonian &h, RandomBase< FullPrecRealType > &rg)
 Alt Constructor. More...
 
virtual ~QMCUpdateBase ()
 destructor More...
 
RealType acceptRatio () const
 
void resetRun (BranchEngineType *brancher, EstimatorManagerBase *est, TraceManager *traces, const DriftModifierBase *driftmodifer)
 reset the QMCUpdateBase parameters More...
 
void resetRun2 (BranchEngineType *brancher, EstimatorManagerBase *est, TraceManager *traces, WalkerLogCollector *wlog_collector_, const DriftModifierBase *driftmodifer)
 
RealType getTau ()
 
void setTau (RealType t)
 
RealType getSpinMass ()
 
void setSpinMass (RealType m)
 
void getLogs (std::vector< RealType > &logs)
 
void set_step (int step)
 
void startRun (int blocks, bool record)
 start a run More...
 
void stopRun ()
 stop a run More...
 
void stopRun2 ()
 
void startBlock (int steps)
 prepare to start a block More...
 
void stopBlock (bool collectall=true)
 stop a block More...
 
void setMultiplicity (WalkerIter_t it, WalkerIter_t it_end)
 set the multiplicity of the walkers to branch More...
 
void setMultiplicity (Walker_t &awalker) const
 
virtual void initWalkersForPbyP (WalkerIter_t it, WalkerIter_t it_end)
 initialize Walker buffers for PbyP update More...
 
virtual void initWalkers (WalkerIter_t it, WalkerIter_t it_end)
 initialize Walker for walker update More...
 
virtual bool put (xmlNodePtr cur)
 process options More...
 
void accumulate (WalkerIter_t it, WalkerIter_t it_end)
 
virtual void advanceWalkers (WalkerIter_t it, WalkerIter_t it_end, bool recompute)
 advance walkers executed at each step More...
 
virtual RealType advanceWalkerForEE (Walker_t &w1, std::vector< PosType > &dR, std::vector< int > &iats, std::vector< int > &rs, std::vector< RealType > &ratios)
 
int RMC_checkIndex (int N, int NMax)
 
void RMC_checkWalkerBounds (WalkerIter_t &it, WalkerIter_t first, WalkerIter_t last)
 
RealType logBackwardGF (const ParticleSet::ParticlePos &displ)
 

Additional Inherited Members

- Public Types inherited from QMCUpdateBase
using Walker_t = MCWalkerConfiguration::Walker_t
 
using WalkerIter_t = MCWalkerConfiguration::iterator
 
using BranchEngineType = SimpleFixedNodeBranch
 
using mPosType = PosType
 
using mTensorType = TensorType
 
- Public Types inherited from QMCTraits
enum  { DIM = OHMMS_DIM, DIM_VGL = OHMMS_DIM + 2 }
 
using QTBase = QMCTypes< OHMMS_PRECISION, DIM >
 
using QTFull = QMCTypes< OHMMS_PRECISION_FULL, DIM >
 
using RealType = QTBase::RealType
 
using ComplexType = QTBase::ComplexType
 
using ValueType = QTBase::ValueType
 
using PosType = QTBase::PosType
 
using GradType = QTBase::GradType
 
using TensorType = QTBase::TensorType
 
using IndexType = OHMMS_INDEXTYPE
 define other types More...
 
using FullPrecRealType = QTFull::RealType
 
using FullPrecValueType = QTFull::ValueType
 
using PropertySetType = RecordNamedProperty< FullPrecRealType >
 define PropertyList_t More...
 
using PtclGrpIndexes = std::vector< std::pair< int, int > >
 
- Public Attributes inherited from QMCUpdateBase
int nSubSteps
 number of steps per measurement More...
 
DriverDebugChecks debug_checks_ = DriverDebugChecks::ALL_OFF
 determine additional checks for debugging purpose More...
 
std::string debug_checks_str_
 
IndexType MaxAge
 MaxAge>0 indicates branch is done. More...
 
IndexType nAccept
 counter for number of moves accepted More...
 
IndexType nReject
 counter for number of moves rejected More...
 
IndexType nAllRejected
 Total number of the steps when all the particle moves are rejected. More...
 
IndexType nNodeCrossing
 Total number of node crossings per block. More...
 
IndexType NonLocalMoveAccepted
 Total numer of non-local moves accepted. More...
 
RealType Tau
 timestep More...
 
RealType spinMass
 spin mass More...
 
bool UseDrift
 use Drift More...
 
RealType csoffset
 normalization offset for cs type runs. More...
 
TraceManagerTraces
 traces More...
 
WalkerLogCollectorwlog_collector
 
- Protected Member Functions inherited from QMCUpdateBase
RealType getNodeCorrection (const ParticleSet::ParticleGradient &g, ParticleSet::ParticlePos &gscaled)
 evaluate the ratio of scaled velocity and velocity More...
 
 QMCUpdateBase (const QMCUpdateBase &)=delete
 copy constructor (disabled) More...
 
- Static Protected Member Functions inherited from QMCUpdateBase
static void checkLogAndGL (ParticleSet &pset, TrialWaveFunction &twf, const std::string_view location)
 check logpsi and grad and lap against values computed from scratch More...
 
- Protected Attributes inherited from QMCUpdateBase
bool UpdatePbyP
 update particle-by-particle More...
 
IndexType NumPtcl
 number of particles More...
 
RealType m_oneover2tau
 Time-step factor $ 1/(2\tau)$. More...
 
RealType m_sqrttau
 Time-step factor $ \sqrt{\tau}$. More...
 
RealType m_tauovermass
 tau/mass More...
 
RealType m_r2max
 maximum displacement^2 More...
 
MCWalkerConfigurationW
 walker ensemble More...
 
TrialWaveFunctionPsi
 trial function More...
 
TrialWaveFunctionGuide
 guide function More...
 
QMCHamiltonianH
 Hamiltonian. More...
 
RandomBase< FullPrecRealType > & RandomGen
 random number generator More...
 
const BranchEngineTypebranchEngine
 branch engine, stateless reference to the one in QMCDriver More...
 
const DriftModifierBaseDriftModifier
 drift modifer, stateless reference to the one in QMCDriver More...
 
EstimatorManagerBaseEstimators
 estimator More...
 
ParameterSet myParams
 parameters More...
 
std::vector< RealTypeMassInvS
 1/Mass per species More...
 
std::vector< RealTypeMassInvP
 1/Mass per particle More...
 
std::vector< RealTypeSqrtTauOverMass
 sqrt(tau/Mass) per particle More...
 
ParticleSet::ParticlePos drift
 temporary storage for drift More...
 
ParticleSet::ParticlePos deltaR
 temporary storage for random displacement More...
 
ParticleSet::ParticleScalar deltaS
 temporart storage for spin displacement More...
 
ParticleSet::ParticleGradient G
 storage for differential gradients for PbyP update More...
 
ParticleSet::ParticleGradient dG
 
ParticleSet::ParticleLaplacian L
 storage for differential laplacians for PbyP update More...
 
ParticleSet::ParticleLaplacian dL
 

Detailed Description

Definition at line 38 of file test_clone_manager.cpp.

Constructor & Destructor Documentation

◆ FakeUpdate()

Definition at line 41 of file test_clone_manager.cpp.

45  : QMCUpdateBase(w, psi, h, rg)
46  {}
QMCUpdateBase(MCWalkerConfiguration &w, TrialWaveFunction &psi, QMCHamiltonian &h, RandomBase< FullPrecRealType > &rg)
Constructor.

Member Function Documentation

◆ advanceWalker()

void advanceWalker ( Walker_t thisWalker,
bool  recompute 
)
inlineoverridevirtual

move a walker

Implements QMCUpdateBase.

Definition at line 48 of file test_clone_manager.cpp.

48 {}

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