Psi4
Classes | Public Member Functions | Static Public Member Functions | Static Private Member Functions | Private Attributes | Static Private Attributes | List of all members
psi::RadialPruneMgr Class Reference

Classes

struct  PruneFunctionTable
 

Public Member Functions

 RadialPruneMgr (MolecularGrid::MolecularGridOptions const &opt)
 
int GetPrunedNumAngPts (double rho)
 
int ShellPruning (int ri, int Z, int radial_pts)
 
int TreutlerShellPruning (int ri, int Z, int radial_pts)
 

Static Public Member Functions

static int WhichPruneFunction (const char *functionname)
 
static const char * FunctionName (int which)
 

Static Private Member Functions

static double flat (double, double)
 
static double p_slater (double rho, double)
 
static double d_slater (double rho, double alpha)
 
static double log_slater (double rho, double alpha)
 
static double p_gaussian (double rho, double)
 
static double d_gaussian (double rho, double)
 
static double log_gaussian (double rho, double alpha)
 

Private Attributes

int nominal_order_
 
double alpha_
 
double(* pruneFn_ )(double, double)
 

Static Private Attributes

static PruneFunctionTable prunefunctions []
 

Constructor & Destructor Documentation

psi::RadialPruneMgr::RadialPruneMgr ( MolecularGrid::MolecularGridOptions const &  opt)

Member Function Documentation

static double psi::RadialPruneMgr::d_gaussian ( double  rho,
double   
)
inlinestaticprivate
static double psi::RadialPruneMgr::d_slater ( double  rho,
double  alpha 
)
inlinestaticprivate
static double psi::RadialPruneMgr::flat ( double  ,
double   
)
inlinestaticprivate
static const char* psi::RadialPruneMgr::FunctionName ( int  which)
inlinestatic
int psi::RadialPruneMgr::GetPrunedNumAngPts ( double  rho)
static double psi::RadialPruneMgr::log_gaussian ( double  rho,
double  alpha 
)
inlinestaticprivate
static double psi::RadialPruneMgr::log_slater ( double  rho,
double  alpha 
)
inlinestaticprivate
static double psi::RadialPruneMgr::p_gaussian ( double  rho,
double   
)
inlinestaticprivate
static double psi::RadialPruneMgr::p_slater ( double  rho,
double   
)
inlinestaticprivate
int psi::RadialPruneMgr::ShellPruning ( int  ri,
int  Z,
int  radial_pts 
)
int psi::RadialPruneMgr::TreutlerShellPruning ( int  ri,
int  Z,
int  radial_pts 
)
int psi::RadialPruneMgr::WhichPruneFunction ( const char *  functionname)
static

Member Data Documentation

double psi::RadialPruneMgr::alpha_
private
int psi::RadialPruneMgr::nominal_order_
private
double(* psi::RadialPruneMgr::pruneFn_)(double, double)
private
RadialPruneMgr::PruneFunctionTable psi::RadialPruneMgr::prunefunctions
staticprivate
Initial value:
= {{"FLAT", flat},
{"P_SLATER", p_slater},
{"D_SLATER", d_slater},
{"LOG_SLATER", log_slater},
{"P_GAUSSIAN", p_gaussian},
{"D_GAUSSIAN", d_gaussian},
{"LOG_GAUSSIAN", log_gaussian},
{nullptr, nullptr}}

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