Searched refs:n_imomm (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_links_methods.F | 53 n_imomm, qm_index local
57 n_imomm = SIZE(qmmm_links%imomm)
58 CPASSERT(n_imomm /= 0)
59 DO ilink = 1, n_imomm
103 n_imomm, qm_index local
107 n_imomm = SIZE(qmmm_links%imomm)
108 CPASSERT(n_imomm /= 0)
109 DO ilink = 1, n_imomm
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| H A D | qmmm_init.F | 1164 n_imomm = 0
1172 IF (link_type == do_qmmm_link_imomm) n_imomm = n_imomm + 1
1176 n_tot = n_imomm + n_gho + n_pseudo
1182 IF (n_imomm /= 0) THEN
1183 ALLOCATE (qmmm_links%imomm(n_imomm))
1184 ALLOCATE (wrk_tmp(n_imomm))
1185 DO ikind = 1, n_imomm
1189 n_imomm = 0
1193 n_imomm = n_imomm + 1
1200 qmmm_links%imomm(n_imomm)%link%alpha = alpha
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_links_methods.F | 53 n_imomm, qm_index local
57 n_imomm = SIZE(qmmm_links%imomm)
58 CPASSERT(n_imomm /= 0)
59 DO ilink = 1, n_imomm
103 n_imomm, qm_index local
107 n_imomm = SIZE(qmmm_links%imomm)
108 CPASSERT(n_imomm /= 0)
109 DO ilink = 1, n_imomm
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| H A D | qmmm_init.F | 1164 n_imomm = 0
1172 IF (link_type == do_qmmm_link_imomm) n_imomm = n_imomm + 1
1176 n_tot = n_imomm + n_gho + n_pseudo
1182 IF (n_imomm /= 0) THEN
1183 ALLOCATE (qmmm_links%imomm(n_imomm))
1184 ALLOCATE (wrk_tmp(n_imomm))
1185 DO ikind = 1, n_imomm
1189 n_imomm = 0
1193 n_imomm = n_imomm + 1
1200 qmmm_links%imomm(n_imomm)%link%alpha = alpha
[all …]
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