DriftModifierBase Class Reference

this class implements drift modification More...

Inheritance diagram for DriftModifierBase:

Collaboration diagram for DriftModifierBase:

Public Types
using	RealType = QMCTraits::RealType
using	PosType = QMCTraits::PosType
using	GradType = QMCTraits::GradType
using	ComplexType = QMCTraits::ComplexType

Public Member Functions
virtual void	getDrift (RealType tau, const GradType &qf, PosType &drift) const =0
	evaluate a drift with a real force More...
virtual void	getDrift (RealType tau, const ComplexType &qf, ParticleSet::Scalar_t &drift) const =0
virtual void	getDrifts (RealType tau, const std::vector< GradType > &qf, std::vector< PosType > &) const =0
virtual void	getDrifts (RealType tau, const std::vector< ComplexType > &qf, std::vector< ParticleSet::Scalar_t > &) const =0
template<CoordsType CT>
void	getDrifts (const TauParams< RealType, CT > &taus, const TWFGrads< CT > &qf, MCCoords< CT > &drifts) const
virtual bool	parseXML (xmlNodePtr cur)
virtual	~DriftModifierBase ()

Protected Attributes
std::string	ClassName

Detailed Description

this class implements drift modification

Definition at line 26 of file DriftModifierBase.h.

Member Typedef Documentation

ComplexType

using ComplexType = QMCTraits::ComplexType

Definition at line 32 of file DriftModifierBase.h.

GradType

using GradType = QMCTraits::GradType

Definition at line 31 of file DriftModifierBase.h.

PosType

using PosType = QMCTraits::PosType

Definition at line 30 of file DriftModifierBase.h.

RealType

using RealType = QMCTraits::RealType

Definition at line 29 of file DriftModifierBase.h.

Constructor & Destructor Documentation

~DriftModifierBase()

virtual ~DriftModifierBase ( )

inlinevirtual

Definition at line 54 of file DriftModifierBase.h.

{}

Member Function Documentation

getDrift() [1/2]

virtual void getDrift ( RealType  tau, const GradType &  qf, PosType &  drift  ) const

pure virtual

evaluate a drift with a real force

Parameters

tau	timestep
qf	quantum force
drift	output

Implemented in DriftModifierUNR.

Referenced by SODMCUpdatePbyPWithRejectionFast::advanceWalker(), VMCUpdatePbyP::advanceWalker(), SOVMCUpdatePbyP::advanceWalker(), DMCUpdatePbyPWithRejectionFast::advanceWalker(), DMCUpdatePbyPL2::advanceWalker(), RMCUpdatePbyPWithDrift::advanceWalkersRMC(), and RMCUpdatePbyPWithDrift::advanceWalkersVMC().

getDrift() [2/2]

virtual void getDrift ( RealType  tau, const ComplexType &  qf, ParticleSet::Scalar_t &  drift  ) const

pure virtual

Implemented in DriftModifierUNR.

getDrifts() [1/3]

virtual void getDrifts ( RealType  tau, const std::vector< GradType > &  qf, std::vector< PosType > &    ) const

pure virtual

Implemented in DriftModifierUNR.

Referenced by VMCBatched::advanceWalkers(), DMCBatched::advanceWalkers(), and DriftModifierBase::getDrifts().

getDrifts() [2/3]

virtual void getDrifts ( RealType  tau, const std::vector< ComplexType > &  qf, std::vector< ParticleSet::Scalar_t > &    ) const

pure virtual

Implemented in DriftModifierUNR.

getDrifts() [3/3]

void getDrifts	(	const TauParams< RealType, CT > &	taus,
		const TWFGrads< CT > &	qf,
		MCCoords< CT > &	drifts
	)		const

Definition at line 62 of file DriftModifierBase.h.

References DriftModifierBase::getDrifts(), and qmcplusplus::POS_SPIN.

{
  getDrifts(taus.tauovermass, qf.grads_positions, drifts.positions);
  if constexpr (CT == CoordsType::POS_SPIN)
    getDrifts(taus.spin_tauovermass, qf.grads_spins, drifts.spins);
}

parseXML()

virtual bool parseXML ( xmlNodePtr  cur )

inlinevirtual

Reimplemented in DriftModifierUNR.

Definition at line 52 of file DriftModifierBase.h.

Referenced by QMCDriver::process().

{ return true; }

Member Data Documentation

ClassName

std::string ClassName

protected

Definition at line 58 of file DriftModifierBase.h.

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCDrivers/GreenFunctionModifiers/DriftModifierBase.h