This is the complete list of members for BasisSetLibrary, including all inherited members.
add_element(const ElementBasisSet &el) | BasisSetLibrary | |
augment(int naug) | BasisSetLibrary | |
BasisSetLibrary() | BasisSetLibrary | |
cholesky_set(double thr, int maxam, double ovlthr) const | BasisSetLibrary | |
decontract() | BasisSetLibrary | |
density_fitting(int lvalinc, double fsam) const | BasisSetLibrary | |
elements | BasisSetLibrary | private |
get_element(std::string el, size_t number=0) const | BasisSetLibrary | |
get_elements() const | BasisSetLibrary | |
get_max_am() const | BasisSetLibrary | |
get_Nel() const | BasisSetLibrary | |
get_symbol(size_t ind) const | BasisSetLibrary | |
load_basis(const std::string &filename, bool verbose=true) | BasisSetLibrary | |
load_gaussian94(const std::string &filename, bool verbose=true) | BasisSetLibrary | |
merge(double cutoff=0.9, bool verbose=true) | BasisSetLibrary | |
name | BasisSetLibrary | private |
normalize() | BasisSetLibrary | |
orthonormalize() | BasisSetLibrary | |
P_orthogonalize(double cutoff=1e-8, double Cortho=1e-4) | BasisSetLibrary | |
print() const | BasisSetLibrary | |
product_set(int lvalinc, double fsam) const | BasisSetLibrary | |
save_cfour(const std::string &filename, const std::string &basisname, bool newformat=true, bool append=false) const | BasisSetLibrary | |
save_dalton(const std::string &filename, bool append=false) const | BasisSetLibrary | |
save_gaussian94(const std::string &filename, bool append=false) const | BasisSetLibrary | |
save_molpro(const std::string &filename, bool append=false) const | BasisSetLibrary | |
sort() | BasisSetLibrary | |
~BasisSetLibrary() | BasisSetLibrary |