|
MRMD 0.4.0
Multi Resolution Molecular Dynamics
|
#include "BerendsenBarostat.hpp"Namespaces | |
| namespace | mrmd |
| namespace | mrmd::action |
| namespace | mrmd::action::BerendsenBarostat |
Functions | |
| void | mrmd::action::BerendsenBarostat::apply (data::Atoms &atoms, const real_t ¤tPressure, 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. | |