expanded_internal.cpp File Reference

#include "gmxpre.h"
#include "expanded_internal.h"
#include <cmath>
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/utility/exceptions.h"

Include dependency graph for expanded_internal.cpp:

Description

Implements internal functionality for expanded ensemble.

Author

Pascal Merz pasca.nosp@m.l.me.nosp@m.rz@me.nosp@m..com

Michael Shirts micha.nosp@m.el.s.nosp@m.hirts.nosp@m.@col.nosp@m.orado.nosp@m..edu

Functions
real	gmx::calculateAcceptanceWeight (LambdaWeightCalculation calculationMode, real lambdaEnergyDifference)
	Calculates the acceptance weight for a lambda state transition. More...