Searched refs:wfc_to_molecule (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_loc_molecules.F | 31 PUBLIC :: wfc_to_molecule
45 SUBROUTINE wfc_to_molecule(qs_loc_env, center, molecule_set, ispin, nspins) subroutine
186 END SUBROUTINE wfc_to_molecule
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| H A D | qs_loc_states.F | 32 USE qs_loc_molecules, ONLY: wfc_to_molecule
137 CALL wfc_to_molecule(qs_loc_env, scenter, molecule_set, ispin, dft_control%nspins)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_loc_molecules.F | 31 PUBLIC :: wfc_to_molecule
45 SUBROUTINE wfc_to_molecule(qs_loc_env, center, molecule_set, ispin, nspins) subroutine
186 END SUBROUTINE wfc_to_molecule
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| H A D | qs_loc_states.F | 32 USE qs_loc_molecules, ONLY: wfc_to_molecule
137 CALL wfc_to_molecule(qs_loc_env, scenter, molecule_set, ispin, dft_control%nspins)
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