| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | semi_empirical_utils.F | 221 SUBROUTINE init_se_param(sep, orb_basis_set, ngauss) argument
223 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | qs_interactions.F | 98 harris_basis, lri_basis, mao_basis, orb_basis_set, ri_aux_basis_set, ri_basis, & local
371 SUBROUTINE init_interaction_radii_orb_basis(orb_basis_set, eps_pgf_orb, eps_pgf_short) argument
373 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
460 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
508 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
629 orb_basis_set local
|
| H A D | qs_subsys_methods.F | 177 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | auto_basis.F | 78 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
245 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
388 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | commutator_rpnl.F | 104 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
454 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | dft_plus_u.F | 239 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
887 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
1536 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | qs_mo_io.F | 311 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
694 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
1025 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | molden_utils.F | 84 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | population_analyses.F | 464 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | atom_kind_orbitals.F | 132 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
859 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | kpoint_io.F | 199 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | qs_initial_guess.F | 172 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
1330 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | kg_environment.F | 319 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | semi_empirical_utils.F | 221 SUBROUTINE init_se_param(sep, orb_basis_set, ngauss) argument
223 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | qs_interactions.F | 101 harris_basis, lri_basis, mao_basis, orb_basis_set, ri_aux_basis_set, ri_basis, & local
372 SUBROUTINE init_interaction_radii_orb_basis(orb_basis_set, eps_pgf_orb, eps_pgf_short) argument
374 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
463 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
511 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
632 orb_basis_set local
|
| H A D | qs_subsys_methods.F | 177 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | auto_basis.F | 73 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
231 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
374 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | dft_plus_u.F | 239 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
887 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
1536 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | qs_mo_io.F | 311 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
694 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
1025 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | molden_utils.F | 84 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | population_analyses.F | 464 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | commutator_rpnl.F | 97 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | atom_kind_orbitals.F | 132 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
859 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | kpoint_io.F | 199 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|
| H A D | qs_initial_guess.F | 166 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
1237 TYPE(gto_basis_set_type), POINTER :: orb_basis_set local
|