Gromacs
2025-dev-20240812-545ca5b
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Functions | |
t_lambda | makeFepvals (const std::vector< double > &lambdaVdw, const std::vector< double > &lambdaCoul) |
Variables | |
constexpr int | c_numLambdas = 5 |
const std::array< double, c_numLambdas > | dhdlVdw = { 1.0, 2.0, 4.0, 8.0, 16.0 } |
const std::array< double, c_numLambdas > | dhdlCoul = { 32.0, 64.0, 128.0, 256.0, 512.0 } |
const gmx::EnumerationArray < FreeEnergyPerturbationCouplingType, double > | dhdlLinearZero |
const gmx::EnumerationArray<FreeEnergyPerturbationCouplingType, double> gmx::anonymous_namespace{enerdata.cpp}::dhdlLinearZero |