Searched refs:cutoffs_tmp (Results 1 – 8 of 8) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_cdft_types.F | 81 REAL(KIND=dp), DIMENSION(:), POINTER :: cutoffs, cutoffs_tmp, & component 289 NULLIFY (becke_control%cutoffs_tmp) 321 IF (ASSOCIATED(becke_control%cutoffs_tmp)) & 322 DEALLOCATE (becke_control%cutoffs_tmp)
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H A D | qs_cdft_utils.F | 187 IF (.NOT. SIZE(atomic_kind_set) == SIZE(becke_control%cutoffs_tmp)) & 195 becke_control%cutoffs(atom_a) = becke_control%cutoffs_tmp(ikind) 198 DEALLOCATE (becke_control%cutoffs_tmp) 498 ALLOCATE (becke_control%cutoffs_tmp(SIZE(rtmplist))) 500 becke_control%cutoffs_tmp(j) = rtmplist(j)
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H A D | mixed_cdft_utils.F | 282 nkinds = SIZE(cdft_control%becke_control%cutoffs_tmp) 288 … settings%cutoffs(1:nkinds, iforce_eval) = cdft_control%becke_control%cutoffs_tmp(:) 521 DEALLOCATE (cdft_control%becke_control%cutoffs_tmp) 608 ALLOCATE (cdft_control%becke_control%cutoffs_tmp(nkinds)) 609 cdft_control%becke_control%cutoffs_tmp = settings%cutoffs(1:nkinds, 1)
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H A D | mixed_cdft_methods.F | 2385 IF (.NOT. SIZE(atomic_kind_set) == SIZE(cdft_control%becke_control%cutoffs_tmp)) & 2393 … cdft_control%becke_control%cutoffs(atom_a) = cdft_control%becke_control%cutoffs_tmp(ikind) 2396 DEALLOCATE (cdft_control%becke_control%cutoffs_tmp)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_cdft_types.F | 81 REAL(KIND=dp), DIMENSION(:), POINTER :: cutoffs, cutoffs_tmp, & component 289 NULLIFY (becke_control%cutoffs_tmp) 321 IF (ASSOCIATED(becke_control%cutoffs_tmp)) & 322 DEALLOCATE (becke_control%cutoffs_tmp)
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H A D | qs_cdft_utils.F | 186 IF (.NOT. SIZE(atomic_kind_set) == SIZE(becke_control%cutoffs_tmp)) & 194 becke_control%cutoffs(atom_a) = becke_control%cutoffs_tmp(ikind) 197 DEALLOCATE (becke_control%cutoffs_tmp) 492 ALLOCATE (becke_control%cutoffs_tmp(SIZE(rtmplist))) 494 becke_control%cutoffs_tmp(j) = rtmplist(j)
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H A D | mixed_cdft_utils.F | 282 nkinds = SIZE(cdft_control%becke_control%cutoffs_tmp) 288 … settings%cutoffs(1:nkinds, iforce_eval) = cdft_control%becke_control%cutoffs_tmp(:) 521 DEALLOCATE (cdft_control%becke_control%cutoffs_tmp) 608 ALLOCATE (cdft_control%becke_control%cutoffs_tmp(nkinds)) 609 cdft_control%becke_control%cutoffs_tmp = settings%cutoffs(1:nkinds, 1)
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H A D | mixed_cdft_methods.F | 2384 IF (.NOT. SIZE(atomic_kind_set) == SIZE(cdft_control%becke_control%cutoffs_tmp)) & 2392 … cdft_control%becke_control%cutoffs(atom_a) = cdft_control%becke_control%cutoffs_tmp(ikind) 2395 DEALLOCATE (cdft_control%becke_control%cutoffs_tmp)
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