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occ
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This is the complete list of members for occ::dft::MolecularGridPoints, including all inherited members.
| atom_blocks() const | occ::dft::MolecularGridPoints | |
| get_atom_grid(size_t atom_idx, uint_fast8_t atomic_number) const | occ::dft::MolecularGridPoints | |
| initialize_from_atom_grids(const std::vector< AtomGrid > &atom_grids) | occ::dft::MolecularGridPoints | |
| MolecularGridPoints()=default | occ::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() const | occ::dft::MolecularGridPoints | |
| num_points() const | occ::dft::MolecularGridPoints | |
| points() const | occ::dft::MolecularGridPoints | |
| points_for_atom(size_t atom_idx) const | occ::dft::MolecularGridPoints | |
| weights() const | occ::dft::MolecularGridPoints | |
| weights_for_atom(size_t atom_idx) const | occ::dft::MolecularGridPoints |