MADNESS  0.10.1
Public Member Functions | Private Attributes | List of all members
SVPESolver Class Reference
Collaboration diagram for SVPESolver:
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Public Member Functions

 SVPESolver (World &world, double sigma, double epsilon_0, double epsilon_1, const vector_real &atomic_radii, const vector_coord_3d &atomic_coords, const double minlen)
 
real_function_3d make_surface_charge (const real_function_3d &u) const
 Given the full Coulomb potential computes the surface charge. More...
 
real_function_3d solve (const real_function_3d &rho, const real_function_3d uguess=real_function_3d(), bool printing=true) const
 Solve for the full Coulomb potential using the free-particle GF. More...
 

Private Attributes

vector_real_function_3d dlog
 
const double epsilon_0
 
const double epsilon_1
 
const double minlen
 
real_convolution_3d op
 
real_function_3d rdielectric
 
const double sigma
 
const double thresh
 

Constructor & Destructor Documentation

◆ SVPESolver()

SVPESolver::SVPESolver ( World world,
double  sigma,
double  epsilon_0,
double  epsilon_1,
const vector_real atomic_radii,
const vector_coord_3d atomic_coords,
const double  minlen 
)
inline

Member Function Documentation

◆ make_surface_charge()

real_function_3d SVPESolver::make_surface_charge ( const real_function_3d u) const
inline

Given the full Coulomb potential computes the surface charge.

References u().

Referenced by main().

◆ solve()

real_function_3d SVPESolver::solve ( const real_function_3d rho,
const real_function_3d  uguess = real_function_3d(),
bool  printing = true 
) const
inline

Member Data Documentation

◆ dlog

vector_real_function_3d SVPESolver::dlog
private

◆ epsilon_0

const double SVPESolver::epsilon_0
private

◆ epsilon_1

const double SVPESolver::epsilon_1
private

◆ minlen

const double SVPESolver::minlen
private

◆ op

real_convolution_3d SVPESolver::op
private

◆ rdielectric

real_function_3d SVPESolver::rdielectric
private

◆ sigma

const double SVPESolver::sigma
private

◆ thresh

const double SVPESolver::thresh
private

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