occ
Loading...
Searching...
No Matches
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: