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Searched refs:mol_to_last_atom (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/
H A Dmolecule_types.F509 … mol_to_last_atom, mol_to_nelectrons, mol_to_nbasis, mol_to_charge, & argument
514 mol_to_last_atom, mol_to_nelectrons, mol_to_nbasis, mol_to_charge, mol_to_multiplicity local
568 IF (PRESENT(mol_to_last_atom)) THEN
569 mol_to_last_atom(imol) = last_atom
/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/
H A Dmolecule_types.F509 … mol_to_last_atom, mol_to_nelectrons, mol_to_nbasis, mol_to_charge, & argument
514 mol_to_last_atom, mol_to_nelectrons, mol_to_nbasis, mol_to_charge, mol_to_multiplicity local
568 IF (PRESENT(mol_to_last_atom)) THEN
569 mol_to_last_atom(imol) = last_atom
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmscfg_methods.F106 mol_to_last_atom=last_atom_of_frag, &
H A Dalmo_scf_qs.F912 mol_to_last_atom=last_atom_of_molecule)
H A Dalmo_scf.F287 mol_to_last_atom=almo_scf_env%last_atom_of_domain, &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmscfg_methods.F106 mol_to_last_atom=last_atom_of_frag, &
H A Dalmo_scf_qs.F912 mol_to_last_atom=last_atom_of_molecule)
H A Dalmo_scf.F276 mol_to_last_atom=almo_scf_env%last_atom_of_domain, &