OpenMM
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This is the complete list of members for CustomHbondForce, including all inherited members.
addAcceptor(int a1, int a2, int a3, const std::vector< double > ¶meters) | CustomHbondForce | |
addDonor(int d1, int d2, int d3, const std::vector< double > ¶meters) | CustomHbondForce | |
addExclusion(int donor, int acceptor) | CustomHbondForce | |
addFunction(const std::string &name, const std::vector< double > &values, double min, double max) | CustomHbondForce | |
addGlobalParameter(const std::string &name, double defaultValue) | CustomHbondForce | |
addPerAcceptorParameter(const std::string &name) | CustomHbondForce | |
addPerDonorParameter(const std::string &name) | CustomHbondForce | |
createImpl() const | CustomHbondForce | protectedvirtual |
CustomHbondForce(const std::string &energy) | CustomHbondForce | explicit |
CutoffNonPeriodic enum value | CustomHbondForce | |
CutoffPeriodic enum value | CustomHbondForce | |
Force() | Force | inline |
getAcceptorParameters(int index, int &a1, int &a2, int &a3, std::vector< double > ¶meters) const | CustomHbondForce | |
getContextImpl(Context &context) | Force | protected |
getCutoffDistance() const | CustomHbondForce | |
getDonorParameters(int index, int &d1, int &d2, int &d3, std::vector< double > ¶meters) const | CustomHbondForce | |
getEnergyFunction() const | CustomHbondForce | |
getExclusionParticles(int index, int &donor, int &acceptor) const | CustomHbondForce | |
getForceGroup() const | Force | |
getFunctionParameters(int index, std::string &name, std::vector< double > &values, double &min, double &max) const | CustomHbondForce | |
getGlobalParameterDefaultValue(int index) const | CustomHbondForce | |
getGlobalParameterName(int index) const | CustomHbondForce | |
getImplInContext(Context &context) | Force | protected |
getNonbondedMethod() const | CustomHbondForce | |
getNumAcceptors() const | CustomHbondForce | inline |
getNumDonors() const | CustomHbondForce | inline |
getNumExclusions() const | CustomHbondForce | inline |
getNumFunctions() const | CustomHbondForce | inline |
getNumGlobalParameters() const | CustomHbondForce | inline |
getNumPerAcceptorParameters() const | CustomHbondForce | inline |
getNumPerDonorParameters() const | CustomHbondForce | inline |
getPerAcceptorParameterName(int index) const | CustomHbondForce | |
getPerDonorParameterName(int index) const | CustomHbondForce | |
NoCutoff enum value | CustomHbondForce | |
NonbondedMethod enum name | CustomHbondForce | |
setAcceptorParameters(int index, int a1, int a2, int a3, const std::vector< double > ¶meters) | CustomHbondForce | |
setCutoffDistance(double distance) | CustomHbondForce | |
setDonorParameters(int index, int d1, int d2, int d3, const std::vector< double > ¶meters) | CustomHbondForce | |
setEnergyFunction(const std::string &energy) | CustomHbondForce | |
setExclusionParticles(int index, int donor, int acceptor) | CustomHbondForce | |
setForceGroup(int group) | Force | |
setFunctionParameters(int index, const std::string &name, const std::vector< double > &values, double min, double max) | CustomHbondForce | |
setGlobalParameterDefaultValue(int index, double defaultValue) | CustomHbondForce | |
setGlobalParameterName(int index, const std::string &name) | CustomHbondForce | |
setNonbondedMethod(NonbondedMethod method) | CustomHbondForce | |
setPerAcceptorParameterName(int index, const std::string &name) | CustomHbondForce | |
setPerDonorParameterName(int index, const std::string &name) | CustomHbondForce | |
updateParametersInContext(Context &context) | CustomHbondForce | |
~Force() | Force | inlinevirtual |