| anterpolateCharge(Real q, Real Delta_q, const Vector3D &coord, unsigned int index) | ProtoMol::iSGGrid< TInterpolation > | [inline] |
| clear() | ProtoMol::iSGGrid< TInterpolation > | |
| dftmod(unsigned int order, unsigned int n, Real *interpolation, Real *interpolationMod) | ProtoMol::iSGGrid< TInterpolation > | [private] |
| fftBack() | ProtoMol::iSGGrid< TInterpolation > | [inline] |
| fftForward() | ProtoMol::iSGGrid< TInterpolation > | [inline] |
| getQ(Real *&begin, Real *&end) | ProtoMol::iSGGrid< TInterpolation > | [inline] |
| initialize(Real width, Real length, Real height, Real alpha, unsigned int nx, unsigned int ny, unsigned int nz, unsigned int interOrder, unsigned int atomCount) | ProtoMol::iSGGrid< TInterpolation > | |
| interpolateForce(Real q, unsigned int index, Vector3D &force) | ProtoMol::iSGGrid< TInterpolation > | [inline] |
| iSGGrid() | ProtoMol::iSGGrid< TInterpolation > | |
| myAlpha | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myAtomCount | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myDMU_FFT | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myDMU_Q | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myDMU_QTmp | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myExpX | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myExpY | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myExpZ | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myFac | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myFFT | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myHeight | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myHeightr | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myHX | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myHXr | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myHY | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myHYr | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myHZ | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myHZr | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myInerpolationModX | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myInerpolationModY | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myInerpolationModZ | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myInterOrder | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myInterpolations | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myLength | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myLengthr | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myNX | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myNXOffset | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myNY | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myNYOffset | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myNZ | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myNZOffset | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myQ | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myQTmp | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myScaledParticleIntPositions | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myV | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myWidth | ProtoMol::iSGGrid< TInterpolation > | [private] |
| myWidthr | ProtoMol::iSGGrid< TInterpolation > | [private] |
| print() | ProtoMol::iSGGrid< TInterpolation > | |
| scalarSum(ScalarStructure *energies, Real &energy, Real &deltaMu) | ProtoMol::iSGGrid< TInterpolation > | |
| scalarSum(ScalarStructure *energies, Real &energy, Real &deltaMu, unsigned int block, unsigned int nBlocks) | ProtoMol::iSGGrid< TInterpolation > | |
| ~iSGGrid() | ProtoMol::iSGGrid< TInterpolation > | |
Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of
Bergen, Norway.