ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.

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ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction > Member List

This is the complete list of members for ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >, including all inherited members.

addToForceGroup(ForceGroup *forceGroup)	ProtoMol::SystemForce	[virtual]
adjustAlias(T *obj) const	ProtoMol::Makeable	[inline, protected]
adjustWithDefaultParameters(std::vector< Value > &values, const Configuration *) const	ProtoMol::Makeable	[inline, virtual]
boundaryConditions	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
CellPairType typedef	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
checkParameters(std::string &errMsg, const std::vector< Value > &values) const	ProtoMol::Makeable
checkParameters(const std::vector< Value > &values) const	ProtoMol::Makeable
checkParameterTypes(const std::vector< Value > &values) const	ProtoMol::Makeable
copy(T *obj)	ProtoMol::Makeable	[inline, static]
correctionTerm(const RealTopologyType *realTopo, const Vector3DBlock *positions, Vector3DBlock *forces, ScalarStructure *energies, Real &intraMolecularEnergy, Real &intraMolecularDeltaMu, unsigned int from, unsigned int to)	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
doMake(std::string &errMsg, std::vector< Value > values) const	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private, virtual]
enumerator	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
EnumeratorType typedef	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
evaluate(const GenericTopology *, const Vector3DBlock *, Vector3DBlock *, ScalarStructure *)	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[virtual]
Force()	ProtoMol::Force	[inline]
getAlias() const	ProtoMol::Makeable
getDefinition() const	ProtoMol::Makeable	[virtual]
getId() const	ProtoMol::Makeable
getIdNoAlias() const	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[virtual]
getKeyword() const	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[inline, virtual]
getParameters(std::vector< Parameter > &parameters) const	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[virtual]
ProtoMol::SystemForce::getParameters() const	ProtoMol::Makeable
getParameterSize() const	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[inline, virtual]
getScope() const	ProtoMol::Force	[inline, virtual]
getText() const	ProtoMol::Makeable	[inline, virtual]
initialize(const RealTopologyType *realTopo, const Vector3DBlock *positions)	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
iSGNonbondedPMEwaldSystemForce()	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >
iSGNonbondedPMEwaldSystemForce(unsigned int nx, unsigned int ny, unsigned int nz, unsigned int order, Real cutoff, Real accuracy, Real alpha, Real expansionFactor)	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >
keyword	ProtoMol::iSGNonbondedPMEwaldSystemForceBase	[private, static]
make(std::string &errMsg, const std::vector< Value > &values) const	ProtoMol::Force
makeCompareForce(Force *actualForce, CompareForce *compareForce) const	ProtoMol::SystemForce	[virtual]
makeTimeForce(Force *actualForce) const	ProtoMol::SystemForce	[virtual]
my2AlphaPI	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myAccuracy	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myAlpha	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myAlphaDefault	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myAlphaSquared	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myAlphaSquaredr	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myCached	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myChargedSystemDeltaMu	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myChargedSystemEnergy	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myExpansionFactor	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myInterOrder	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myISGGrid	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myKc	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myLattice	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myLX	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myLXr	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myLY	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myLYr	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myLZ	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myLZr	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myNX	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myNY	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myNZ	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myOrigin	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myPointSelfDeltaMu	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myPointSelfEnergy	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myRc	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myRcSquared	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myTRate	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myV	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
myVr	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
numberOfBlocks(const GenericTopology *, const Vector3DBlock *)	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[virtual]
parallelEvaluate(const GenericTopology *, const Vector3DBlock *, Vector3DBlock *, ScalarStructure *)	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[virtual]
realTerm(const RealTopologyType *realTopo, const Vector3DBlock *positions, Vector3DBlock *forces, ScalarStructure *energies, Real &realEnergy, Real &realDeltaMu, unsigned int n)	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
RealTopologyType typedef	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
reciprocalTerm(const RealTopologyType *realTopo, const Vector3DBlock *positions, Vector3DBlock *forces, ScalarStructure *energies, Real &reciprocalEnergy, Real &reciprocalDeltaMu)	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
reciprocalTermParallel(const RealTopologyType *realTopo, const Vector3DBlock *positions, Vector3DBlock *forces, ScalarStructure *energies, Real &reciprocalEnergy, Real &reciprocalDeltaMu)	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
scope	ProtoMol::Force	[static]
setAlias(const std::string &id)	ProtoMol::Makeable
setParameter(std::string &errMsg, const std::string &key, T val)	ProtoMol::Force	[inline]
setParameter(std::string &errMsg, unsigned int index, T val)	ProtoMol::Force	[inline]
setParameters(std::string &errMsg, std::vector< Value > value)	ProtoMol::Force
setParametersBySwapping(T *obj, std::string &errMsg, std::vector< Value > values)	ProtoMol::Force	[inline, protected]
surfaceDipoleTerm(const RealTopologyType *realTopo, const Vector3DBlock *positions, Vector3DBlock *forces, ScalarStructure *energies, Real &surfaceDipoleEnergy)	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
switchingFunction	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[private]
SystemForce()	ProtoMol::SystemForce	[inline]
uncache()	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[inline, virtual]
~Force()	ProtoMol::Force	[inline, virtual]
~iSGNonbondedPMEwaldSystemForce()	ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >	[virtual]
~Makeable()	ProtoMol::Makeable	[inline, virtual]
~SystemForce()	ProtoMol::SystemForce	[inline, virtual]

Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.