occ::solvent::COSMO Class Reference

#include <cosmo.h>

Classes
struct	Result

Public Member Functions
	COSMO (double dielectric, double x=0.0)
Result	operator() (const Mat3N &, const Vec &, const Vec &) const
auto	surface_charge (const Vec &charges) const
void	set_x (double x)
double	dielectric () const

Constructor & Destructor Documentation

COSMO()

occ::solvent::COSMO::COSMO ( double dielectric, double x = 0.0 )

inline

Member Function Documentation

dielectric()

double occ::solvent::COSMO::dielectric ( ) const

inline

operator()()

Result occ::solvent::COSMO::operator()	(	const Mat3N &	,
		const Vec &	,
		const Vec &	) const

set_x()

void occ::solvent::COSMO::set_x ( double x )

inline

surface_charge()

auto occ::solvent::COSMO::surface_charge ( const Vec & charges ) const

inline

---

The documentation for this class was generated from the following file:

• /home/runner/work/occ/occ/include/occ/solvent/cosmo.h