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Searched refs:cutoffs_tmp (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_cdft_types.F81 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)
H A Dqs_cdft_utils.F187 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)
H A Dmixed_cdft_utils.F282 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)
H A Dmixed_cdft_methods.F2385 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)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_cdft_types.F81 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)
H A Dqs_cdft_utils.F186 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)
H A Dmixed_cdft_utils.F282 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)
H A Dmixed_cdft_methods.F2384 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)