MADNESS
0.10.1
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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... | |
Store information on a shell of basis functions as it's being read.
Used when reading the basis functions.
std::vector<double> slymer::BasisShell::coeffs |
Expansion coefficient for each primitive.
Referenced by slymer::operator<<(), and slymer::NWChem_Interface::read_basis_set().
std::vector<double> slymer::BasisShell::exps |
Exponent for each primitive.
Referenced by slymer::operator<<(), and slymer::NWChem_Interface::read_basis_set().
char slymer::BasisShell::type |
Type of basis function.
Referenced by slymer::operator<<(), and slymer::NWChem_Interface::read_basis_set().