Searched refs:skpps (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_dftb_utils.F | 620 REAL(dp) :: epp(6), matel(6), skppp, skpps local
627 skpps = skpar(ind(1, 1, 0))
630 matel(l) = epp(l)*skpps + (1._dp - epp(l))*skppp
633 matel(l) = epp(l)*(skpps - skppp)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_dftb_utils.F | 620 REAL(dp) :: epp(6), matel(6), skppp, skpps local
627 skpps = skpar(ind(1, 1, 0))
630 matel(l) = epp(l)*skpps + (1._dp - epp(l))*skppp
633 matel(l) = epp(l)*(skpps - skppp)
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