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AmoebaMultipoleForce Member List

This is the complete list of members for AmoebaMultipoleForce, including all inherited members.

addMultipole(double charge, const std::vector< double > &molecularDipole, const std::vector< double > &molecularQuadrupole, int axisType, int multipoleAtomZ, int multipoleAtomX, int multipoleAtomY, double thole, double dampingFactor, double polarity) | AmoebaMultipoleForce |
AmoebaMultipoleForce() | AmoebaMultipoleForce |
Bisector enum value | AmoebaMultipoleForce |
Covalent12 enum value | AmoebaMultipoleForce |
Covalent13 enum value | AmoebaMultipoleForce |
Covalent14 enum value | AmoebaMultipoleForce |
Covalent15 enum value | AmoebaMultipoleForce |
CovalentEnd enum value | AmoebaMultipoleForce |
CovalentType enum name | AmoebaMultipoleForce |
createImpl() const | AmoebaMultipoleForce | protected virtual
Direct enum value | AmoebaMultipoleForce |
Force() | Force | inline
getAEwald() const | AmoebaMultipoleForce |
getContextImpl(Context &context) | Force | protected
getCovalentMap(int index, CovalentType typeId, std::vector< int > &covalentAtoms) const | AmoebaMultipoleForce |
getCovalentMaps(int index, std::vector< std::vector< int > > &covalentLists) const | AmoebaMultipoleForce |
getCutoffDistance() const | AmoebaMultipoleForce |
getElectrostaticPotential(const std::vector< Vec3 > &inputGrid, Context &context, std::vector< double > &outputElectrostaticPotential) | AmoebaMultipoleForce |
getEwaldErrorTolerance() const | AmoebaMultipoleForce |
getForceGroup() const | Force |
getImplInContext(Context &context) | Force | protected
getInducedDipoles(Context &context, std::vector< Vec3 > &dipoles) | AmoebaMultipoleForce |
getMultipoleParameters(int index, double &charge, std::vector< double > &molecularDipole, std::vector< double > &molecularQuadrupole, int &axisType, int &multipoleAtomZ, int &multipoleAtomX, int &multipoleAtomY, double &thole, double &dampingFactor, double &polarity) const | AmoebaMultipoleForce |
getMutualInducedMaxIterations(void) const | AmoebaMultipoleForce |
getMutualInducedTargetEpsilon(void) const | AmoebaMultipoleForce |
getNonbondedMethod() const | AmoebaMultipoleForce |
getNumMultipoles() const | AmoebaMultipoleForce | inline
getPmeBSplineOrder() const | AmoebaMultipoleForce |
getPmeGridDimensions(std::vector< int > &gridDimension) const | AmoebaMultipoleForce |
getPolarizationType() const | AmoebaMultipoleForce |
getSystemMultipoleMoments(Context &context, std::vector< double > &outputMultipoleMoments) | AmoebaMultipoleForce |
LastAxisTypeIndex enum value | AmoebaMultipoleForce |
MultipoleAxisTypes enum name | AmoebaMultipoleForce |
Mutual enum value | AmoebaMultipoleForce |
NoAxisType enum value | AmoebaMultipoleForce |
NoCutoff enum value | AmoebaMultipoleForce |
NonbondedMethod enum name | AmoebaMultipoleForce |
PME enum value | AmoebaMultipoleForce |
PolarizationCovalent11 enum value | AmoebaMultipoleForce |
PolarizationCovalent12 enum value | AmoebaMultipoleForce |
PolarizationCovalent13 enum value | AmoebaMultipoleForce |
PolarizationCovalent14 enum value | AmoebaMultipoleForce |
PolarizationType enum name | AmoebaMultipoleForce |
setAEwald(double aewald) | AmoebaMultipoleForce |
setCovalentMap(int index, CovalentType typeId, const std::vector< int > &covalentAtoms) | AmoebaMultipoleForce |
setCutoffDistance(double distance) | AmoebaMultipoleForce |
setEwaldErrorTolerance(double tol) | AmoebaMultipoleForce |
setForceGroup(int group) | Force |
setMultipoleParameters(int index, double charge, const std::vector< double > &molecularDipole, const std::vector< double > &molecularQuadrupole, int axisType, int multipoleAtomZ, int multipoleAtomX, int multipoleAtomY, double thole, double dampingFactor, double polarity) | AmoebaMultipoleForce |
setMutualInducedMaxIterations(int inputMutualInducedMaxIterations) | AmoebaMultipoleForce |
setMutualInducedTargetEpsilon(double inputMutualInducedTargetEpsilon) | AmoebaMultipoleForce |
setNonbondedMethod(NonbondedMethod method) | AmoebaMultipoleForce |
setPmeGridDimensions(const std::vector< int > &gridDimension) | AmoebaMultipoleForce |
setPolarizationType(PolarizationType type) | AmoebaMultipoleForce |
ThreeFold enum value | AmoebaMultipoleForce |
updateParametersInContext(Context &context) | AmoebaMultipoleForce |
usesPeriodicBoundaryConditions() const | AmoebaMultipoleForce | inline virtual
ZBisect enum value | AmoebaMultipoleForce |
ZOnly enum value | AmoebaMultipoleForce |
ZThenX enum value | AmoebaMultipoleForce |
~Force() | Force | inline virtual