LjPmeGrid Struct Reference

#include <LjPmeBase.h>

Public Attributes
int	K1
int	K2
int	K3
int	dim2
int	dim3
int	order
int	block1
int	block2

Detailed Description

Definition at line 20 of file LjPmeBase.h.

Member Data Documentation

block1

int LjPmeGrid::block1

Definition at line 24 of file LjPmeBase.h.

Referenced by LjPmeMgr::initialize().

block2

int LjPmeGrid::block2

Definition at line 24 of file LjPmeBase.h.

Referenced by LjPmeMgr::initialize().

dim2

int LjPmeGrid::dim2

Definition at line 22 of file LjPmeBase.h.

Referenced by LjPmeMgr::gridCalculation(), LjPmeMgr::initialize(), and LjPmeMgr::optimizeFFT().

dim3

int LjPmeGrid::dim3

Definition at line 22 of file LjPmeBase.h.

Referenced by LjPmeMgr::computeLongRange(), LjPmeMgr::gridCalculation(), LjPmeMgr::initialize(), and LjPmeMgr::optimizeFFT().

K1

int LjPmeGrid::K1

Definition at line 21 of file LjPmeBase.h.

Referenced by LjPmeKSpace::compute_energy(), LjPmeMgr::gridCalculation(), LjPmeMgr::initialize(), LjPmeKSpace::LjPmeKSpace(), LjPmeMgr::optimizeFFT(), and LjPmeMgr::setScaledCoordinates().

K2

int LjPmeGrid::K2

Definition at line 21 of file LjPmeBase.h.

Referenced by LjPmeKSpace::compute_energy(), LjPmeMgr::gridCalculation(), LjPmeMgr::initialize(), LjPmeKSpace::LjPmeKSpace(), LjPmeMgr::optimizeFFT(), and LjPmeMgr::setScaledCoordinates().

K3

int LjPmeGrid::K3

Definition at line 21 of file LjPmeBase.h.

Referenced by LjPmeKSpace::compute_energy(), LjPmeMgr::initialize(), LjPmeKSpace::LjPmeKSpace(), LjPmeMgr::optimizeFFT(), and LjPmeMgr::setScaledCoordinates().

order

int LjPmeGrid::order

Definition at line 23 of file LjPmeBase.h.

Referenced by LjPmeRealSpace::compute_scaledForces(), LjPmeRealSpace::fill_charges(), LjPmeMgr::initialize(), LjPmeKSpace::LjPmeKSpace(), LjPmeRealSpace::LjPmeRealSpace(), and LjPmeMgr::setScaledCoordinates().

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

• LjPmeBase.h