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occ::gto::Shell Member List

This is the complete list of members for occ::gto::Shell, including all inherited members.

Cartesian enum valueocc::gto::Shell
coeff_normalized(Eigen::Index contr_idx, Eigen::Index coeff_idx) constocc::gto::Shell
coeff_normalized_dma(Eigen::Index contr_idx, Eigen::Index coeff_idx) constocc::gto::Shell
coeffs_normalized_for_libecpint() constocc::gto::Shell
contraction_coefficientsocc::gto::Shell
ecp_r_exponentsocc::gto::Shell
exponentsocc::gto::Shell
extentocc::gto::Shell
find_atom_index(const std::vector< Atom > &atoms) constocc::gto::Shell
incorporate_shell_norm()occ::gto::Shell
is_pure() constocc::gto::Shell
kindocc::gto::Shell
Kind enum nameocc::gto::Shell
locc::gto::Shell
l_to_symbol(uint_fast8_t l)occ::gto::Shellstatic
libcint_environment_size() constocc::gto::Shell
max_exponent() constocc::gto::Shell
max_ln_coefficientocc::gto::Shell
min_exponent() constocc::gto::Shell
norm() constocc::gto::Shell
normalize_charge_distribution_primitives()occ::gto::Shell
num_contractions() constocc::gto::Shell
num_primitives() constocc::gto::Shell
operator!=(const Shell &other) constocc::gto::Shell
operator<(const Shell &other) constocc::gto::Shell
operator==(const Shell &other) constocc::gto::Shell
originocc::gto::Shell
Shell(int, const std::vector< double > &expo, const std::vector< std::vector< double > > &contr, const std::array< double, 3 > &pos)occ::gto::Shell
Shell(const occ::core::PointCharge &, double alpha=1e16)occ::gto::Shell
Shell()occ::gto::Shell
size() constocc::gto::Shell
Spherical enum valueocc::gto::Shell
symbol() constocc::gto::Shell
symbol_to_l(char symbol)occ::gto::Shellstatic
translated_copy(const Eigen::Vector3d &origin) constocc::gto::Shell
u_coefficientsocc::gto::Shell