ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
|
This is the complete list of members for AtomicRadials, including all inherited members.
AtomicRadials() | AtomicRadials | inline |
AtomicRadials(const AtomicRadials &other) | AtomicRadials | inline |
build(const std::string &file, const int itype=0, std::ofstream *ptr_log=nullptr, const int rank=0) | AtomicRadials | virtual |
build(RadialSet *const other, const int itype, const double rcut) | AtomicRadials | |
RadialSet::build(const Numerical_Nonlocal &, const int=0, std::ofstream *const =nullptr) | RadialSet | inlinevirtual |
RadialSet::build(const int=0, const double=1.0, const bool=false, const int=0, const double=10.0, const double=0.01, const double=1e-6, const int=0, const std::string="", const std::string="minimal-valence", std::ofstream *const =nullptr) | RadialSet | inlinevirtual |
RadialSet::build(const std::string &, const int, const double, const double, std::ofstream *const =nullptr, const int=0) | RadialSet | inlinevirtual |
RadialSet::build(const int, const int, const double, const double=0.1, const double=0.01, const int=0, std::ofstream *=nullptr, const int=0) | RadialSet | inlinevirtual |
cbegin() const | RadialSet | inline |
cend() const | RadialSet | inline |
chi(const int l, const int izeta) | RadialSet | |
chi_ | RadialSet | protected |
cleanup() | RadialSet | protected |
clone() const | AtomicRadials | inlinevirtual |
index(const int l, const int izeta) const | RadialSet | protected |
index_map_ | RadialSet | protected |
indexing() | RadialSet | protected |
itype() const | RadialSet | inline |
itype_ | RadialSet | protected |
lmax() const | RadialSet | inline |
lmax_ | RadialSet | protected |
nchi() const | RadialSet | inline |
nchi_ | RadialSet | protected |
nzeta(const int l) const | RadialSet | inline |
nzeta_ | RadialSet | protected |
nzeta_max() const | RadialSet | inline |
nzeta_max_ | RadialSet | protected |
operator=(const AtomicRadials &rhs) | AtomicRadials | |
RadialSet::operator=(const RadialSet &) | RadialSet | |
orb_ecut() const | AtomicRadials | inline |
orb_ecut_ | AtomicRadials | private |
RadialSet()=default | RadialSet | |
RadialSet(const RadialSet &) | RadialSet | |
rcut_max() const | RadialSet | inline |
rcut_max_ | RadialSet | protected |
read_abacus_orb(std::ifstream &ifs, std::ofstream *ptr_log=nullptr, const int rank=0) | AtomicRadials | private |
set_grid(const bool for_r_space, const int ngrid, const double *grid, const char mode='i') | RadialSet | |
set_rcut_max() | RadialSet | protected |
set_transformer(ModuleBase::SphericalBesselTransformer sbt, const int update=0) | RadialSet | |
set_uniform_grid(const bool for_r_space, const int ngrid, const double cutoff, const char mode='i', const bool enable_fft=false) | RadialSet | |
symbol() const | RadialSet | inline |
symbol_ | RadialSet | protected |
to_numerical_orbital(Numerical_Orbital &, const int nk_legacy=4005, const double lcao_dk=0.01) const | RadialSet | virtual |
write_abacus_orb(const std::string &, const int=0) const | RadialSet | |
~AtomicRadials() | AtomicRadials | inline |
~RadialSet() | RadialSet | virtual |