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subroutine, public | qs_harmonics_atom::allocate_harmonics_atom (harmonics) |
| Allocate a spherical harmonics set for the atom grid.
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subroutine, public | qs_harmonics_atom::deallocate_harmonics_atom (harmonics) |
| Deallocate the spherical harmonics set for the atom grid.
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subroutine, public | qs_harmonics_atom::create_harmonics_atom (harmonics, my_cg, na, llmax, maxs, max_s_harm, ll, wa, azi, pol) |
| ...
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subroutine, public | qs_harmonics_atom::get_maxl_cg (harmonics, orb_basis, llmax, max_s_harm) |
| ...
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