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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 value
occ::qm::Shell
coeff_normalized
(Eigen::Index contr_idx, Eigen::Index coeff_idx) const
occ::qm::Shell
coeffs_normalized_for_libecpint
() const
occ::qm::Shell
contraction_coefficients
occ::qm::Shell
ecp_r_exponents
occ::qm::Shell
exponents
occ::qm::Shell
extent
occ::qm::Shell
find_atom_index
(const std::vector< Atom > &atoms) const
occ::qm::Shell
incorporate_shell_norm
()
occ::qm::Shell
is_pure
() const
occ::qm::Shell
Kind
enum name
occ::qm::Shell
kind
occ::qm::Shell
l
occ::qm::Shell
l_to_symbol
(uint_fast8_t l)
occ::qm::Shell
static
libcint_environment_size
() const
occ::qm::Shell
max_exponent
() const
occ::qm::Shell
max_ln_coefficient
occ::qm::Shell
min_exponent
() const
occ::qm::Shell
norm
() const
occ::qm::Shell
num_contractions
() const
occ::qm::Shell
num_primitives
() const
occ::qm::Shell
operator!=
(const Shell &other) const
occ::qm::Shell
operator<
(const Shell &other) const
occ::qm::Shell
operator==
(const Shell &other) const
occ::qm::Shell
origin
occ::qm::Shell
pi2_34
occ::qm::Shell
static
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
() const
occ::qm::Shell
Spherical
enum value
occ::qm::Shell
symbol
() const
occ::qm::Shell
symbol_to_l
(char symbol)
occ::qm::Shell
static
translated_copy
(const Eigen::Vector3d &origin) const
occ::qm::Shell
u_coefficients
occ::qm::Shell
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