MADNESS  0.10.1
Public Attributes | List of all members
slymer::BasisShell Struct Reference

Store information on a shell of basis functions as it's being read. More...

Public Attributes

std::vector< double > coeffs
 Expansion coefficient for each primitive. More...
 
std::vector< double > exps
 Exponent for each primitive. More...
 
char type
 Type of basis function. More...
 

Detailed Description

Store information on a shell of basis functions as it's being read.

Used when reading the basis functions.

Member Data Documentation

◆ coeffs

std::vector<double> slymer::BasisShell::coeffs

Expansion coefficient for each primitive.

Referenced by slymer::operator<<(), and slymer::NWChem_Interface::read_basis_set().

◆ exps

std::vector<double> slymer::BasisShell::exps

Exponent for each primitive.

Referenced by slymer::operator<<(), and slymer::NWChem_Interface::read_basis_set().

◆ type

char slymer::BasisShell::type

Type of basis function.

Referenced by slymer::operator<<(), and slymer::NWChem_Interface::read_basis_set().


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