Gromacs  2024.3
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
ForeignLambdaTerms Member List

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

accumulate(int listIndex, FreeEnergyPerturbationCouplingType couplingType, double energy, real dvdl)ForeignLambdaTermsinline
accumulate(int listIndex, double energy, const gmx::EnumerationArray< FreeEnergyPerturbationCouplingType, real > &dvdl)ForeignLambdaTermsinline
deltaH(int lambdaIndex) const ForeignLambdaTermsinline
energies()ForeignLambdaTermsinline
energies() const ForeignLambdaTermsinline
finalizeKineticContributions(gmx::ArrayRef< const real > energyTerms, double dhdlMass, gmx::ArrayRef< const real > lambda, const t_lambda &fepvals)ForeignLambdaTerms
finalizePotentialContributions(const gmx::EnumerationArray< FreeEnergyPerturbationCouplingType, double > &dvdlLinear, gmx::ArrayRef< const real > lambda, const t_lambda &fepvals)ForeignLambdaTerms
foreignLambdas(FreeEnergyPerturbationCouplingType couplingType)ForeignLambdaTermsinline
ForeignLambdaTerms(const gmx::EnumerationArray< FreeEnergyPerturbationCouplingType, std::vector< double >> *allLambdas)ForeignLambdaTerms
getTerms(const t_commrec *cr) const ForeignLambdaTerms
numLambdas() const ForeignLambdaTermsinline
zeroAllTerms()ForeignLambdaTerms
Generated on Thu Aug 29 2024 12:30:17 for Gromacs by   doxygen 1.8.5