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Searched refs:first_atom_of_domain (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dalmo_scf_types.F152 INTEGER, DIMENSION(:), ALLOCATABLE :: first_atom_of_domain component
H A Dalmo_scf.F257 ALLOCATE (almo_scf_env%first_atom_of_domain(ndomains))
275 mol_to_first_atom=almo_scf_env%first_atom_of_domain, &
302 … - almo_scf_env%first_atom_of_domain(idomain) + 1)
2332 DEALLOCATE (almo_scf_env%first_atom_of_domain)
H A Dalmo_scf_qs.F195 blk_distr(almo_scf_env%first_atom_of_domain(imol))
255 blk_distr(almo_scf_env%first_atom_of_domain(imol))
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dalmo_scf_types.F149 INTEGER, DIMENSION(:), ALLOCATABLE :: first_atom_of_domain component
H A Dalmo_scf_qs.F195 blk_distr(almo_scf_env%first_atom_of_domain(imol))
255 blk_distr(almo_scf_env%first_atom_of_domain(imol))
H A Dalmo_scf.F268 ALLOCATE (almo_scf_env%first_atom_of_domain(ndomains))
286 mol_to_first_atom=almo_scf_env%first_atom_of_domain, &
313 … - almo_scf_env%first_atom_of_domain(idomain) + 1)
2855 DEALLOCATE (almo_scf_env%first_atom_of_domain)