Gromacs  2024.2
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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