ERKALE
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Casida Member List

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

CCasidaprivate
calc_K(const Settings &set, const BasisSet &bas)Casidaprivate
Casida()Casida
Casida(const Settings &set, const BasisSet &basis, const arma::vec &E, const arma::mat &C, const arma::mat &P, const std::vector< double > &occs)Casida
Casida(const Settings &set, const BasisSet &basis, const arma::vec &Ea, const arma::vec &Eb, const arma::mat &Ca, const arma::mat &Cb, const arma::mat &Pa, const arma::mat &Pb, const std::vector< double > &occa, const std::vector< double > &occb)Casida
coulomb_fit(const BasisSet &basis, std::vector< arma::mat > &munu, arma::mat &ab_inv, const Settings &set) const Casidaprivate
couplingCasidaprivate
dipmatCasidaprivate
dipole_transition(const BasisSet &bas) const Casida
ECasidaprivate
esq(states_pair_t ip, bool ispin) const Casidaprivate
fCasidaprivate
F_iCasidaprivate
fe(states_pair_t ip, bool ispin) const Casidaprivate
form_pairs(const Settings &set, const std::vector< std::vector< double > > occs)Casidaprivate
K (defined in Casida)Casidaprivate
Kcoul(const BasisSet &basis, const Settings &set)Casidaprivate
Kxc(const BasisSet &bas, double tol, int x_func, int c_func)Casidaprivate
matrix_transform(bool ispin, const arma::mat &m) const Casidaprivate
matrix_transform(bool ispin, const arma::cx_mat &m) const Casidaprivate
noccCasidaprivate
nvirtCasidaprivate
PCasidaprivate
pairsCasidaprivate
parse_coupling(const Settings &set)Casidaprivate
solve()Casidaprivate
transition(const std::vector< arma::mat > &M) const Casidaprivate
transition(const std::vector< arma::cx_mat > &M) const Casidaprivate
transition(const BasisSet &bas, const arma::vec &q) const Casida
transition(const BasisSet &bas, double q) const Casida
w_iCasidaprivate
~Casida()Casida