coordstate.h File Reference

#include <vector>
#include "gromacs/utility/arrayref.h"
#include "dimparams.h"

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Description

Declares the CoordState class.

It sets and holds the current coordinate value and corresponding closest grid point index. These are (re)set at every step. With umbrella potential type, this class also holds and updates the umbrella potential reference location, which is a state variable that presists over the duration of an AWH sampling interval.

Author

Viveca Lindahl

Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes
class	gmx::CoordState
	Keeps track of the current coordinate value, grid index and umbrella location. More...