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occ::dft::MolecularGridPoints Member List

This is the complete list of members for occ::dft::MolecularGridPoints, including all inherited members.

atom_blocks() constocc::dft::MolecularGridPoints
get_atom_grid(size_t atom_idx, uint_fast8_t atomic_number) constocc::dft::MolecularGridPoints
initialize_from_atom_grids(const std::vector< AtomGrid > &atom_grids)occ::dft::MolecularGridPoints
MolecularGridPoints()=defaultocc::dft::MolecularGridPoints
MolecularGridPoints(const Mat3N &points, const Vec &weights, const std::vector< std::pair< size_t, size_t > > &atom_blocks)occ::dft::MolecularGridPoints
MolecularGridPoints(const std::vector< AtomGrid > &atom_grids)occ::dft::MolecularGridPoints
num_atoms() constocc::dft::MolecularGridPoints
num_points() constocc::dft::MolecularGridPoints
points() constocc::dft::MolecularGridPoints
points_for_atom(size_t atom_idx) constocc::dft::MolecularGridPoints
weights() constocc::dft::MolecularGridPoints
weights_for_atom(size_t atom_idx) constocc::dft::MolecularGridPoints