mrmd::action::BerendsenBarostat Namespace Reference

Functions
void	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.

Function Documentation

apply()

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,
		bool	stretchY,
		bool	stretchZ
	)

Berendsen Barostat DOI: 10.1063/1.448118.