parrinellorahmanbarostat.h File Reference

#include "gromacs/math/matrix.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/logger.h"
#include "modularsimulatorinterfaces.h"
#include "propagator.h"

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Description

Declares the Parrinello-Rahman barostat for the modular simulator.

Author

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

This header is only used within the modular simulator module

Classes
class	gmx::ParrinelloRahmanBarostat
	Element implementing the Parrinello-Rahman barostat. More...