| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | sap_kind_types.F | 289 l, lc_max, lc_min, ldai, ldsab, lppnl, maxco, maxder, maxl, maxlgto, maxlppnl, maxppnl, & local
457 lppnl = gpotential(kkind)%gth_potential%lppnl
468 lppnl = spotential(kkind)%sgp_potential%lmax
470 is_nonlocal(0:lppnl) = spotential(kkind)%sgp_potential%is_nonlocal(0:lppnl)
513 DO l = 0, lppnl
574 lppnl, 0, nnl, radp, a_nl, rac, dac, sab, 0, .FALSE., ai_work, ldai)
577 … lppnl, 0, nnl, radp, a_nl, rac, dac, sab, nder, .TRUE., ai_work, ldai)
581 lppnl, nnl, a_nl, radp, nder, raf, rcf, ai_work)
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| H A D | core_ppnl.F | 105 ldsab, lppnl, maxco, maxder, maxl, maxlgto, maxlppnl, maxppnl, maxsgf, na, natom, nb, & local
304 lppnl = gpotential(kkind)%gth_potential%lppnl
315 lppnl = spotential(kkind)%sgp_potential%lmax
317 is_nonlocal(0:lppnl) = spotential(kkind)%sgp_potential%is_nonlocal(0:lppnl)
349 DO l = 0, lppnl
395 … lppnl, 0, nnl, radp, a_nl, rac, dac, sab, nder, .TRUE., ai_work, ldai)
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| H A D | qs_interactions.F | 80 INTEGER :: handle, i, iexp_ppl, ikind, ip, iprj_ppnl, j, l, lppl, lppnl, lprj, lprj_ppnl, & local
168 lppnl=lppnl, &
226 DO l = 0, lppnl
269 CALL get_potential(potential=sgp_potential, lmax=lppnl, n_nonlocal=nloc)
272 DO l = 0, lppnl
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| H A D | commutator_rpnl.F | 83 jkind, jneighbor, kac, katom, kbc, kkind, l, lc_max, lc_min, ldai, ldsab, lppnl, maxco, & local
210 lppnl = gpotential(kkind)%gth_potential%lppnl
257 DO l = 0, lppnl
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| H A D | atom_kind_orbitals.F | 1193 lppnl=lm, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
| H A D | external_potential_types.F | 900 IF (PRESENT(lppnl)) lppnl = potential%lppnl
1106 DO l = 0, potential%lppnl
1187 DO l = 0, potential%lppnl
2241 potential%lppnl = n - 1
2249 lppnl = potential%lppnl
2264 DO l = 0, lppnl
2297 0, lppnl)
2368 0, lppnl)
2660 IF (PRESENT(lppnl)) potential%lppnl = lppnl
2925 IF (potential%lppnl > -1) THEN
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | core_ppnl.F | 107 lc_max, lc_min, ldai, ldsab, lppnl, maxco, maxder, maxl, maxlgto, maxlppnl, maxppnl, & local
263 lppnl = gpotential(kkind)%gth_potential%lppnl
274 lppnl = spotential(kkind)%sgp_potential%lmax
276 is_nonlocal(0:lppnl) = spotential(kkind)%sgp_potential%is_nonlocal(0:lppnl)
329 DO l = 0, lppnl
363 … lppnl, 0, nnl, radp, a_nl, rac, dac, sab, nder, .TRUE., ai_work, ldai)
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| H A D | qs_interactions.F | 83 INTEGER :: handle, i, iexp_ppl, ikind, ip, iprj_ppnl, j, l, lppl, lppnl, lprj, lprj_ppnl, & local
173 lppnl=lppnl, &
228 DO l = 0, lppnl
270 CALL get_potential(potential=sgp_potential, lmax=lppnl, n_nonlocal=nloc)
273 DO l = 0, lppnl
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| H A D | commutator_rpnl.F | 76 jkind, jneighbor, kac, katom, kbc, kkind, l, lc_max, lc_min, ldai, ldsab, lppnl, maxco, & local
203 lppnl = gpotential(kkind)%gth_potential%lppnl
250 DO l = 0, lppnl
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| H A D | atom_kind_orbitals.F | 1193 lppnl=lm, &
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
| H A D | external_potential_types.F | 907 IF (PRESENT(lppnl)) lppnl = potential%lppnl
1113 DO l = 0, potential%lppnl
1194 DO l = 0, potential%lppnl
2249 potential%lppnl = n - 1
2257 lppnl = potential%lppnl
2272 DO l = 0, lppnl
2376 0, lppnl)
2668 IF (PRESENT(lppnl)) potential%lppnl = lppnl
2933 IF (potential%lppnl > -1) THEN
2937 DO l = 0, potential%lppnl
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