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subroutine, public | qs_grid_atom::allocate_grid_atom (grid_atom) |
| Initialize components of the grid_atom_type structure. More...
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subroutine, public | qs_grid_atom::deallocate_grid_atom (grid_atom) |
| Deallocate a Gaussian-type orbital (GTO) basis set data set. More...
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subroutine, public | qs_grid_atom::create_grid_atom (grid_atom, nr, na, llmax, ll, quadrature) |
| ... More...
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subroutine, public | qs_grid_atom::initialize_atomic_grid (int_grid, nr, na, rmax, quadrature, iunit) |
| Initialize atomic grid. More...
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subroutine, public | qs_grid_atom::deallocate_atom_int_grid (int_grid) |
| ... More...
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