occ
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This is the complete list of members for occ::dft::MolecularGrid, including all inherited members.
atomic_radii() const | occ::dft::MolecularGrid | inline |
get_atom_grid(size_t atom_idx) const | occ::dft::MolecularGrid | |
get_molecular_grid_points() const | occ::dft::MolecularGrid | |
get_partitioned_atom_grid(size_t atom_idx) const | occ::dft::MolecularGrid | |
MolecularGrid(const AOBasis &basis, const GridSettings &settings=GridSettings(), RadialGridMethod method=RadialGridMethod::LMG) | occ::dft::MolecularGrid | |
MolecularGrid(const Mat3N &positions, const IVec &atomic_numbers, const GridSettings &settings=GridSettings(), RadialGridMethod method=RadialGridMethod::LMG) | occ::dft::MolecularGrid | |
n_atoms() const | occ::dft::MolecularGrid | |
populate_molecular_grid_points() | occ::dft::MolecularGrid | |
set_atomic_radii(const Vec &) | occ::dft::MolecularGrid | |
settings() const | occ::dft::MolecularGrid |