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Searched refs:natom_tot (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_linres_nmr_shift.F265 n_nics, na, natom, natom_local, natom_tot, nkind, nnics_local, nr, nra, nspins, num_pe, & local
322 natom_tot = SIZE(particle_set, 1)
330 ALLOCATE (cs_loc_tmp(3, natom_tot), list_j(natom_tot), &
331 dist_ij(3, natom_tot))
378 DO jatom = 1, natom_tot
H A Dqs_linres_atom_current.F647 maxso, mepos, n1s, n2s, na, natom, natom_tot, nkind, nr, nset, nspins, num_pe, size1, & local
700 natom_tot = SIZE(jrho1_atom_set, 1)
701 ALLOCATE (is_set_to_0(natom_tot, nspins))
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_linres_nmr_shift.F265 n_nics, na, natom, natom_local, natom_tot, nkind, nnics_local, nr, nra, nspins, num_pe, & local
322 natom_tot = SIZE(particle_set, 1)
330 ALLOCATE (cs_loc_tmp(3, natom_tot), list_j(natom_tot), &
331 dist_ij(3, natom_tot))
378 DO jatom = 1, natom_tot
H A Dqs_linres_atom_current.F647 maxso, mepos, n1s, n2s, na, natom, natom_tot, nkind, nr, nset, nspins, num_pe, size1, & local
700 natom_tot = SIZE(jrho1_atom_set, 1)
701 ALLOCATE (is_set_to_0(natom_tot, nspins))