This is the complete list of members for madness::XCfunctional, including all inherited members.
binary_munge(double rho, double refrho, const double thresh) const | madness::XCfunctional | inlineprivate |
enum_chi_aa enum value | madness::XCfunctional | |
enum_chi_ab enum value | madness::XCfunctional | |
enum_chi_bb enum value | madness::XCfunctional | |
enum_ddens_ptx enum value | madness::XCfunctional | |
enum_ddens_pty enum value | madness::XCfunctional | |
enum_ddens_ptz enum value | madness::XCfunctional | |
enum_rho_pt enum value | madness::XCfunctional | |
enum_rhoa enum value | madness::XCfunctional | |
enum_rhob enum value | madness::XCfunctional | |
enum_saa enum value | madness::XCfunctional | |
enum_sab enum value | madness::XCfunctional | |
enum_sbb enum value | madness::XCfunctional | |
enum_sigma_pta_div_rho enum value | madness::XCfunctional | |
enum_sigma_ptb_div_rho enum value | madness::XCfunctional | |
enum_sigtot enum value | madness::XCfunctional | |
enum_zetaa_x enum value | madness::XCfunctional | |
enum_zetaa_y enum value | madness::XCfunctional | |
enum_zetaa_z enum value | madness::XCfunctional | |
enum_zetab_x enum value | madness::XCfunctional | |
enum_zetab_y enum value | madness::XCfunctional | |
enum_zetab_z enum value | madness::XCfunctional | |
exc(const std::vector< madness::Tensor< double > > &t) const | madness::XCfunctional | |
fxc_apply(const std::vector< madness::Tensor< double > > &t, const int ispin) const | madness::XCfunctional | |
get_ggatol() const | madness::XCfunctional | inline |
get_rhotol() const | madness::XCfunctional | inline |
ggatol | madness::XCfunctional | protected |
has_fxc() const | madness::XCfunctional | |
has_kxc() const | madness::XCfunctional | |
hf_coeff | madness::XCfunctional | protected |
hf_exchange_coefficient() const | madness::XCfunctional | inline |
initialize(const std::string &input_line, bool polarized, World &world, const bool verbose=false) | madness::XCfunctional | |
is_dft() const | madness::XCfunctional | |
is_gga() const | madness::XCfunctional | |
is_lda() const | madness::XCfunctional | |
is_meta() const | madness::XCfunctional | |
is_spin_polarized() const | madness::XCfunctional | inline |
make_libxc_args(const std::vector< madness::Tensor< double > > &t, madness::Tensor< double > &rho, madness::Tensor< double > &sigma, madness::Tensor< double > &rho_pt, madness::Tensor< double > &sigma_pt, std::vector< madness::Tensor< double > > &drho, std::vector< madness::Tensor< double > > &drho_pt, const bool need_response) const | madness::XCfunctional | protected |
munge(double rho) const | madness::XCfunctional | inlineprivate |
munge_old(double rho) | madness::XCfunctional | inlinestatic |
nderiv | madness::XCfunctional | protected |
number_xc_args | madness::XCfunctional | static |
plot() const | madness::XCfunctional | inline |
polyn(const double x, double &p, double &dpdx) | madness::XCfunctional | inlineprotectedstatic |
rhomin | madness::XCfunctional | protected |
rhotol | madness::XCfunctional | protected |
spin_polarized | madness::XCfunctional | protected |
vxc(const std::vector< madness::Tensor< double > > &t, const int ispin) const | madness::XCfunctional | |
xc_arg enum name | madness::XCfunctional | |
XCfunctional() | madness::XCfunctional | |
~XCfunctional() | madness::XCfunctional | |