freeenergyparameters.h File Reference

#include <cstdint>
#include <array>
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/real.h"

Include dependency graph for freeenergyparameters.h:

This graph shows which files directly or indirectly include this file:

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...