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freeenergyparameters.h File Reference
#include <array>
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/real.h"
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Description

Handling of free energy parameters.

Author
Christian Blau blau@.nosp@m.kth..nosp@m.se

Functions

gmx::EnumerationArray
< FreeEnergyPerturbationCouplingType,
real
gmx::currentLambdas (int64_t step, const t_lambda &fepvals, int currentLambdaState)
 Evaluate the current lambdas. More...