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GaussianShell Member List

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

amGaussianShellprivate
cGaussianShellprivate
cartGaussianShellprivate
cenGaussianShellprivate
cenindGaussianShellprivate
convert_contraction()GaussianShell
coulomb_normalize()GaussianShell
coulomb_overlap(const GaussianShell &rhs) const GaussianShell
eval_func(double x, double y, double z) const GaussianShell
eval_grad(double x, double y, double z) const GaussianShell
eval_hess(double x, double y, double z) const GaussianShell
eval_lapl(double x, double y, double z) const GaussianShell
eval_laplgrad(double x, double y, double z) const GaussianShell
GaussianShell()GaussianShell
GaussianShell(int am, bool lm, const std::vector< contr_t > &C)GaussianShell
get_am() const GaussianShell
get_cart() const GaussianShell
get_center() const GaussianShell
get_center_ind() const GaussianShell
get_contr() const GaussianShell
get_contr_normalized() const GaussianShell
get_first_ind() const GaussianShell
get_last_ind() const GaussianShell
get_Nbf() const GaussianShell
get_Ncart() const GaussianShell
get_Ncontr() const GaussianShell
get_Nlm() const GaussianShell
get_trans() const GaussianShell
indstartGaussianShellprivate
integral() const GaussianShell
kinetic(const GaussianShell &rhs) const GaussianShell
kinetic_pulay(const arma::mat &P, const GaussianShell &rhs) const GaussianShell
lm_in_use() const GaussianShell
moment(int mom, double x, double y, double z, const GaussianShell &rhs) const GaussianShell
normalize(bool coeffs=true)GaussianShell
nuclear(double cx, double cy, double cz, const GaussianShell &rhs) const GaussianShell
nuclear_der(double cx, double cy, double cz, const arma::mat &P, const GaussianShell &rhs) const GaussianShell
nuclear_pulay(double cx, double cy, double cz, const arma::mat &P, const GaussianShell &rhs) const GaussianShell
operator<(const GaussianShell &rhs) const GaussianShell
operator==(const GaussianShell &rhs) const GaussianShell
overlap(const GaussianShell &rhs) const GaussianShell
overlap_der(const arma::mat &W, const GaussianShell &rhs) const GaussianShell
print() const GaussianShell
range(double eps) const GaussianShell
set_center(const coords_t &cenv, size_t cenindv)GaussianShell
set_first_ind(size_t ind)GaussianShell
set_lm(bool lm)GaussianShell
sort()GaussianShell
transmatGaussianShellprivate
uselmGaussianShellprivate
~GaussianShell()GaussianShell