Collaboration diagram for FannThreeParticleNetwork:

Public Member Functions
double	rescaleDistance12 (double r12) const

double	rescaleDistance13 (double r12) const

double	rescaleAngle (double angle) const

double	rescaleEnergy (double energy) const

double	rescaleEnergyDerivativeR12 (double value) const

double	rescaleEnergyDerivativeR13 (double value) const

double	rescaleEnergyDerivativeAngle (double value) const

Public Attributes
fann *	ann

double	r12Min

double	r12Max

double	r13Min

double	r13Max

double	minDistance

double	energyMin

double	energyMax

AtomType	atomType1

AtomType	atomType2

AtomType	atomType3

double	headCorrectionMaxDerivative

double	tailCorrectionMinDerivative

double	headCorrectionMaxEnergy

double	tailCorrectionMinEnergy

double	energyOffset

double	angleMin = M_PI / 10

double	angleMax = M_PI

Member Function Documentation

double FannThreeParticleNetwork::rescaleAngle ( double angle) const

double FannThreeParticleNetwork::rescaleDistance12 ( double r12) const

double FannThreeParticleNetwork::rescaleDistance13 ( double r12) const

double FannThreeParticleNetwork::rescaleEnergy ( double energy) const

double FannThreeParticleNetwork::rescaleEnergyDerivativeAngle ( double value) const

double FannThreeParticleNetwork::rescaleEnergyDerivativeR12 ( double value) const

double FannThreeParticleNetwork::rescaleEnergyDerivativeR13 ( double value) const

Member Data Documentation

double FannThreeParticleNetwork::angleMax = M_PI

double FannThreeParticleNetwork::angleMin = M_PI / 10

fann* FannThreeParticleNetwork::ann

AtomType FannThreeParticleNetwork::atomType1

AtomType FannThreeParticleNetwork::atomType2

AtomType FannThreeParticleNetwork::atomType3

double FannThreeParticleNetwork::energyMax

double FannThreeParticleNetwork::energyMin

double FannThreeParticleNetwork::energyOffset

double FannThreeParticleNetwork::headCorrectionMaxDerivative

double FannThreeParticleNetwork::headCorrectionMaxEnergy

double FannThreeParticleNetwork::minDistance

double FannThreeParticleNetwork::r12Max

double FannThreeParticleNetwork::r12Min

double FannThreeParticleNetwork::r13Max

double FannThreeParticleNetwork::r13Min

double FannThreeParticleNetwork::tailCorrectionMinDerivative

double FannThreeParticleNetwork::tailCorrectionMinEnergy

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

/home/svenni/Dropbox/projects/programming/emdee/emdee/src/libs/force/fannthreeparticleforce.h
/home/svenni/Dropbox/projects/programming/emdee/emdee/src/libs/force/fannthreeparticleforce.cpp