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Searched refs:n_start_colv (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dtopology_constraint_util.F289 n_start_colv = cons_info%nconst_colv
290 cons_info%nconst_colv = nhdist + n_start_colv
303 cons_info%colv_intermolecular(n_start_colv + 1:cons_info%nconst_colv) = .FALSE.
304 cons_info%colv_exclude_qm(n_start_colv + 1:cons_info%nconst_colv) = .FALSE.
305 cons_info%colv_exclude_mm(n_start_colv + 1:cons_info%nconst_colv) = .FALSE.
307 cons_info%colv_k0(n_start_colv + 1:cons_info%nconst_colv) = cons_info%hbonds_k0
360 cons_info%const_colv_mol(nhdist + n_start_colv) = i
361 cons_info%const_colv_molname(nhdist + n_start_colv) = "UNDEF"
362 cons_info%const_colv_target(nhdist + n_start_colv) = rmod
363 cons_info%const_colv_target_growth(nhdist + n_start_colv) = 0.0_dp
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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dtopology_constraint_util.F289 n_start_colv = cons_info%nconst_colv
290 cons_info%nconst_colv = nhdist + n_start_colv
303 cons_info%colv_intermolecular(n_start_colv + 1:cons_info%nconst_colv) = .FALSE.
304 cons_info%colv_exclude_qm(n_start_colv + 1:cons_info%nconst_colv) = .FALSE.
305 cons_info%colv_exclude_mm(n_start_colv + 1:cons_info%nconst_colv) = .FALSE.
307 cons_info%colv_k0(n_start_colv + 1:cons_info%nconst_colv) = cons_info%hbonds_k0
360 cons_info%const_colv_mol(nhdist + n_start_colv) = i
361 cons_info%const_colv_molname(nhdist + n_start_colv) = "UNDEF"
362 cons_info%const_colv_target(nhdist + n_start_colv) = rmod
363 cons_info%const_colv_target_growth(nhdist + n_start_colv) = 0.0_dp
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