Structure of Arrays for single-center lennard-Jones molecules for the RMM run. More...

#include <CellDataSoARMM.h>

Inheritance diagram for CellDataSoARMM:

Public Member Functions
	CellDataSoARMM (size_t mol_arg)

vcp_inline vcp_real_calc *	r_xBegin ()

vcp_inline vcp_real_calc *	r_yBegin ()

vcp_inline vcp_real_calc *	r_zBegin ()

vcp_inline vcp_real_accum *	v_xBegin ()

vcp_inline vcp_real_accum *	v_yBegin ()

vcp_inline vcp_real_accum *	v_zBegin ()

const vcp_inline vcp_real_calc *	r_xBegin () const

const vcp_inline vcp_real_calc *	r_yBegin () const

const vcp_inline vcp_real_calc *	r_zBegin () const

const vcp_inline vcp_real_accum *	v_xBegin () const

const vcp_inline vcp_real_accum *	v_yBegin () const

const vcp_inline vcp_real_accum *	v_zBegin () const

void	resize (size_t molecules_arg)

size_t	getDynamicSize () const

void	appendMolecule (MoleculeInterface &m)

void	increaseStorage (size_t additionalMolecules)

Molecule	buildAoSMolecule (size_t index) const

void	readImmutableMolecule (size_t index, MoleculeInterface &m) const

void	readMutableMolecule (size_t index, MoleculeInterface &m)

void	writeMolecule (size_t i, const MoleculeInterface &m)

void	deleteMolecule (size_t index)

void	prefetchForForce () const

vcp_real_calc	getMolR (unsigned short d, size_t index) const

void	setMolR (unsigned short d, size_t index, vcp_real_calc molR)

vcp_real_accum	getMolV (unsigned short d, size_t index) const

void	setMolV (unsigned short d, size_t index, vcp_real_accum molV)

uint64_t	getMolUid (size_t index) const

void	setMolUid (size_t index, unsigned long molUid)

Public Member Functions inherited from CellDataSoABase
void	setMolNum (size_t molNum)

size_t	getMolNum () const

void	incrementMolNum ()

void	decrementMolNum ()

Detailed Description

Structure of Arrays for single-center lennard-Jones molecules for the RMM run.

Author: Nikola Tchipev

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

src/particleContainer/adapter/CellDataSoARMM.h

Public Member Functions

Detailed Description