MRMD 0.4.0
Multi Resolution Molecular Dynamics
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BerendsenBarostat.cpp File Reference

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.