BerendsenBarostat.hpp File Reference

#include "data/Atoms.hpp"
#include "data/Subdomain.hpp"
#include "datatypes.hpp"

Go to the source code of this file.

Namespaces
namespace	mrmd
namespace	mrmd::action
namespace	mrmd::action::BerendsenBarostat

Functions
void	mrmd::action::BerendsenBarostat::apply (data::Atoms &atoms, const real_t &currentPressure, const real_t &targetPressure, const real_t &gamma, data::Subdomain &subdomain, bool stretchX=true, bool stretchY=true, bool stretchZ=true)
	Berendsen Barostat DOI: 10.1063/1.448118.