meta data for NLPP calculation of a pair of ion and electron This is not just meta data. More...

Collaboration diagram for NLPPJob< T >:

Public Types
using	RealType = T

using	PosType = TinyVector< RealType, 3 >

Public Member Functions
	NLPPJob (const int ion_id_in, const int electron_id_in, const RealType ion_elec_dist_in, const PosType &ion_elec_displ_in)
	This allows construction using emplace back could be a way to pull it off with aggregate initialization but it is nontrivial. More...

Public Attributes
const int	ion_id

const int	electron_id

const RealType	ion_elec_dist

const PosType	ion_elec_displ

Detailed Description

template<typename T>
struct qmcplusplus::NLPPJob< T >

meta data for NLPP calculation of a pair of ion and electron This is not just meta data.

elec pos ion_elec_dist etc. This is an AoS data element.

Definition at line 30 of file VirtualParticleSet.h.

Member Typedef Documentation

◆ PosType

using PosType = TinyVector<RealType, 3>

Definition at line 29 of file NLPPJob.h.

◆ RealType

using RealType = T

Definition at line 28 of file NLPPJob.h.

Constructor & Destructor Documentation

◆ NLPPJob()

NLPPJob	(	const int	ion_id_in,
		const int	electron_id_in,
		const RealType	ion_elec_dist_in,
		const PosType &	ion_elec_displ_in
	)

inline

This allows construction using emplace back could be a way to pull it off with aggregate initialization but it is nontrivial.

Definition at line 39 of file NLPPJob.h.

       : ion_id(ion_id_in),
         electron_id(electron_id_in),
         ion_elec_dist(ion_elec_dist_in),
         ion_elec_displ(ion_elec_displ_in)
   {}

Member Data Documentation

◆ electron_id

const int electron_id

Definition at line 31 of file NLPPJob.h.

Referenced by SOECPComponent::mw_evaluateOne(), NonLocalECPComponent::mw_evaluateOne(), VirtualParticleSet::mw_makeMoves(), and VirtualParticleSet::mw_makeMovesWithSpin().

◆ ion_elec_displ

const PosType ion_elec_displ

Definition at line 33 of file NLPPJob.h.

Referenced by SOECPComponent::mw_evaluateOne(), and NonLocalECPComponent::mw_evaluateOne().

◆ ion_elec_dist

const RealType ion_elec_dist

Definition at line 32 of file NLPPJob.h.

Referenced by SOECPComponent::mw_evaluateOne(), and NonLocalECPComponent::mw_evaluateOne().

◆ ion_id

const int ion_id

Definition at line 30 of file NLPPJob.h.

Referenced by VirtualParticleSet::mw_makeMoves(), and VirtualParticleSet::mw_makeMovesWithSpin().

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

/home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Particle/VirtualParticleSet.h
/home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCHamiltonians/NLPPJob.h

Public Types

Public Member Functions

Public Attributes