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ElementBasisSet Member List

This is the complete list of members for ElementBasisSet, including all inherited members.

add_function(FunctionShell f)ElementBasisSet
augment(int naug)ElementBasisSet
BasisSetLibrary (defined in ElementBasisSet)ElementBasisSetfriend
bfElementBasisSetprivate
cholesky_set(double thr, int maxam, double ovlthr) const ElementBasisSet
decontract()ElementBasisSet
density_fitting(int lmaxinc, double fsam) const ElementBasisSet
ElementBasisSet()ElementBasisSet
ElementBasisSet(std::string sym, size_t number=0)ElementBasisSet
get_am(size_t ind) const ElementBasisSet
get_max_am() const ElementBasisSet
get_Nbf() const ElementBasisSet
get_number() const ElementBasisSet
get_primitives(arma::vec &exps, arma::mat &coeffs, int am) const ElementBasisSet
get_primitives(arma::vec &zfree, arma::vec &zgen, arma::mat &cgen, int am) const ElementBasisSet
get_shells() const ElementBasisSet
get_shells(int am) const ElementBasisSet
get_symbol() const ElementBasisSet
merge(double cutoff=0.9, bool verbose=true, bool coulomb=false)ElementBasisSet
normalize()ElementBasisSet
numberElementBasisSetprivate
operator<(const ElementBasisSet &rhs) const ElementBasisSet
orthonormalize()ElementBasisSet
P_orthogonalize(double cutoff=1e-8, double Cortho=1e-4)ElementBasisSet
print() const ElementBasisSet
product_set(int lmaxinc, double fsam) const ElementBasisSet
prune(double cutoff=0.9, bool coulomb=false)ElementBasisSet
set_number(size_t num)ElementBasisSet
sort()ElementBasisSet
symbolElementBasisSetprivate
~ElementBasisSet()ElementBasisSet