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occ::qm::Shell Member List

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

Cartesian enum valueocc::qm::Shell
coeff_normalized(Eigen::Index contr_idx, Eigen::Index coeff_idx) constocc::qm::Shell
coeffs_normalized_for_libecpint() constocc::qm::Shell
contraction_coefficientsocc::qm::Shell
ecp_r_exponentsocc::qm::Shell
exponentsocc::qm::Shell
extentocc::qm::Shell
find_atom_index(const std::vector< Atom > &atoms) constocc::qm::Shell
incorporate_shell_norm()occ::qm::Shell
is_pure() constocc::qm::Shell
Kind enum nameocc::qm::Shell
kindocc::qm::Shell
locc::qm::Shell
l_to_symbol(uint_fast8_t l)occ::qm::Shellstatic
libcint_environment_size() constocc::qm::Shell
max_exponent() constocc::qm::Shell
max_ln_coefficientocc::qm::Shell
min_exponent() constocc::qm::Shell
norm() constocc::qm::Shell
num_contractions() constocc::qm::Shell
num_primitives() constocc::qm::Shell
operator!=(const Shell &other) constocc::qm::Shell
operator<(const Shell &other) constocc::qm::Shell
operator==(const Shell &other) constocc::qm::Shell
originocc::qm::Shell
pi2_34occ::qm::Shellstatic
Shell(int, const std::vector< double > &expo, const std::vector< std::vector< double > > &contr, const std::array< double, 3 > &pos)occ::qm::Shell
Shell(const occ::core::PointCharge &, double alpha=1e16)occ::qm::Shell
Shell()occ::qm::Shell
size() constocc::qm::Shell
Spherical enum valueocc::qm::Shell
symbol() constocc::qm::Shell
symbol_to_l(char symbol)occ::qm::Shellstatic
translated_copy(const Eigen::Vector3d &origin) constocc::qm::Shell
u_coefficientsocc::qm::Shell