MADNESS  0.10.1
madness::XCfunctional Member List

This is the complete list of members for madness::XCfunctional, including all inherited members.

binary_munge(double rho, double refrho, const double thresh) constmadness::XCfunctionalinlineprivate
enum_chi_aa enum valuemadness::XCfunctional
enum_chi_ab enum valuemadness::XCfunctional
enum_chi_bb enum valuemadness::XCfunctional
enum_ddens_ptx enum valuemadness::XCfunctional
enum_ddens_pty enum valuemadness::XCfunctional
enum_ddens_ptz enum valuemadness::XCfunctional
enum_rho_pt enum valuemadness::XCfunctional
enum_rhoa enum valuemadness::XCfunctional
enum_rhob enum valuemadness::XCfunctional
enum_saa enum valuemadness::XCfunctional
enum_sab enum valuemadness::XCfunctional
enum_sbb enum valuemadness::XCfunctional
enum_sigma_pta_div_rho enum valuemadness::XCfunctional
enum_sigma_ptb_div_rho enum valuemadness::XCfunctional
enum_sigtot enum valuemadness::XCfunctional
enum_zetaa_x enum valuemadness::XCfunctional
enum_zetaa_y enum valuemadness::XCfunctional
enum_zetaa_z enum valuemadness::XCfunctional
enum_zetab_x enum valuemadness::XCfunctional
enum_zetab_y enum valuemadness::XCfunctional
enum_zetab_z enum valuemadness::XCfunctional
exc(const std::vector< madness::Tensor< double > > &t) constmadness::XCfunctional
fxc_apply(const std::vector< madness::Tensor< double > > &t, const int ispin) constmadness::XCfunctional
get_ggatol() constmadness::XCfunctionalinline
get_rhotol() constmadness::XCfunctionalinline
ggatolmadness::XCfunctionalprotected
has_fxc() constmadness::XCfunctional
has_kxc() constmadness::XCfunctional
hf_coeffmadness::XCfunctionalprotected
hf_exchange_coefficient() constmadness::XCfunctionalinline
initialize(const std::string &input_line, bool polarized, World &world, const bool verbose=false)madness::XCfunctional
is_dft() constmadness::XCfunctional
is_gga() constmadness::XCfunctional
is_lda() constmadness::XCfunctional
is_meta() constmadness::XCfunctional
is_spin_polarized() constmadness::XCfunctionalinline
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) constmadness::XCfunctionalprotected
munge(double rho) constmadness::XCfunctionalinlineprivate
munge_old(double rho)madness::XCfunctionalinlinestatic
nderivmadness::XCfunctionalprotected
number_xc_argsmadness::XCfunctionalstatic
plot() constmadness::XCfunctionalinline
polyn(const double x, double &p, double &dpdx)madness::XCfunctionalinlineprotectedstatic
rhominmadness::XCfunctionalprotected
rhotolmadness::XCfunctionalprotected
spin_polarizedmadness::XCfunctionalprotected
vxc(const std::vector< madness::Tensor< double > > &t, const int ispin) constmadness::XCfunctional
xc_arg enum namemadness::XCfunctional
XCfunctional()madness::XCfunctional
~XCfunctional()madness::XCfunctional