atomic_number() const | pseudopotential::psp8 | inlinevirtual |
atomic_number_ | pseudopotential::psp8 | private |
beta(int index, int &l, std::vector< double > &proj) const | pseudopotential::base | inlinevirtual |
correlation() const | pseudopotential::psp8 | inlinevirtual |
d_ij(int l, int i, int j) const | pseudopotential::psp8 | inlinevirtual |
density(std::vector< double > &density) const | pseudopotential::psp8 | inlinevirtual |
density_ | pseudopotential::psp8 | private |
description() const | pseudopotential::psp8 | inlinevirtual |
description_ | pseudopotential::psp8 | private |
dnm_zero(int nbeta, std::vector< std::vector< double > > &dnm) const | pseudopotential::base | inlinevirtual |
ekb_ | pseudopotential::psp8 | private |
exchange() const | pseudopotential::psp8 | inlinevirtual |
extrapolate_first_point(std::vector< double > &function_) const | pseudopotential::psp8 | inlineprivate |
file_size_ | pseudopotential::psp8 | private |
filename_ | pseudopotential::base | protected |
format() const | pseudopotential::psp8 | inlinevirtual |
grid(std::vector< double > &val) const | pseudopotential::base | inlinevirtual |
grid_weights(std::vector< double > &val) const | pseudopotential::base | inlinevirtual |
has_density() const | pseudopotential::psp8 | inlinevirtual |
has_density_ | pseudopotential::psp8 | private |
has_nlcc() const | pseudopotential::psp8 | inlinevirtual |
has_radial_function(int l) const | pseudopotential::psp8 | inlinevirtual |
has_rinner() const | pseudopotential::base | inlinevirtual |
has_soc_ | pseudopotential::psp8 | private |
has_total_angular_momentum() const | pseudopotential::psp8 | inlinevirtual |
ixc_ | pseudopotential::psp8 | private |
llocal() const | pseudopotential::psp8 | inlinevirtual |
llocal_ | pseudopotential::psp8 | private |
lmax() const | pseudopotential::base | inlinevirtual |
lmax_ | pseudopotential::base | protected |
local_potential(std::vector< double > &potential) const | pseudopotential::psp8 | inlinevirtual |
local_potential_ | pseudopotential::psp8 | private |
mass() const | pseudopotential::psp8 | inlinevirtual |
mesh_size() const | pseudopotential::psp8 | inlinevirtual |
mesh_size_ | pseudopotential::psp8 | private |
mesh_spacing() const | pseudopotential::psp8 | inlinevirtual |
mesh_spacing_ | pseudopotential::psp8 | private |
nchannels() const | pseudopotential::psp8 | inlinevirtual |
nchannels_ | pseudopotential::psp8 | private |
nlcc_ | pseudopotential::psp8 | private |
nlcc_density(std::vector< double > &density) const | pseudopotential::psp8 | inlinevirtual |
nlcc_density_ | pseudopotential::psp8 | private |
nprojectors() const | pseudopotential::psp8 | inlinevirtual |
nprojectors_ | pseudopotential::psp8 | private |
nprojectors_per_l(int l) const | pseudopotential::psp8 | inlinevirtual |
nprojl_ | pseudopotential::psp8 | private |
nquad() const | pseudopotential::base | inlinevirtual |
nwavefunctions() const | pseudopotential::base | inlinevirtual |
projector(int l, int i, std::vector< double > &proj) const | pseudopotential::psp8 | inlinevirtual |
projector_2j(int l, int ic) const | pseudopotential::base | inlinevirtual |
projectors_ | pseudopotential::psp8 | private |
psp8(const std::string &filename) | pseudopotential::psp8 | inline |
qfcoeff(int index, int ltot, std::vector< double > &val) const | pseudopotential::base | inlinevirtual |
qnm(int index, int &l1, int &l2, int &n, int &m, std::vector< double > &val) const | pseudopotential::base | inlinevirtual |
radial_function(int l, std::vector< double > &function) const | pseudopotential::psp8 | inlinevirtual |
radial_potential(int l, std::vector< double > &function) const | pseudopotential::psp8 | inlinevirtual |
read_local_potential(std::istream &file) | pseudopotential::psp8 | inlineprivate |
rinner(std::vector< double > &val) const | pseudopotential::base | inlinevirtual |
rquad() const | pseudopotential::base | inlinevirtual |
size() const | pseudopotential::psp8 | inlinevirtual |
symbol() const | pseudopotential::psp8 | inlinevirtual |
type() const | pseudopotential::base | inlinevirtual |
type_ | pseudopotential::base | protected |
valence_charge() const | pseudopotential::psp8 | inlinevirtual |
valence_charge_ | pseudopotential::psp8 | private |
value(const rapidxml::xml_base<> *node) | pseudopotential::base | inlineprotectedstatic |
wavefunction(int index, int &n, int &l, double &occ, std::vector< double > &val) const | pseudopotential::base | inlinevirtual |
wavefunction_2j(int ii) const | pseudopotential::base | inlinevirtual |
~base() | pseudopotential::base | inlinevirtual |