Searched refs:dCoul (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | semi_empirical_int_gks.F | 181 de1b(1, i) = dCoul(1, i, 1)*sepj%zeff
468 dCoul(1, imA, imB) = wv(1)
469 dCoul(2, imA, imB) = wv(2)
470 dCoul(3, imA, imB) = wv(3)
527 IF (l_denuc) dCoulE = dCoul
915 dCoul(1, imA, imB) = wv(1)
916 dCoul(2, imA, imB) = wv(2)
917 dCoul(3, imA, imB) = wv(3)
1031 dCoul(1, imA, imB) = dCoul(1, imA, imB) + wv(1)
1032 dCoul(2, imA, imB) = dCoul(2, imA, imB) + wv(2)
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | semi_empirical_int_gks.F | 181 de1b(1, i) = dCoul(1, i, 1)*sepj%zeff
468 dCoul(1, imA, imB) = wv(1)
469 dCoul(2, imA, imB) = wv(2)
470 dCoul(3, imA, imB) = wv(3)
527 IF (l_denuc) dCoulE = dCoul
915 dCoul(1, imA, imB) = wv(1)
916 dCoul(2, imA, imB) = wv(2)
917 dCoul(3, imA, imB) = wv(3)
1031 dCoul(1, imA, imB) = dCoul(1, imA, imB) + wv(1)
1032 dCoul(2, imA, imB) = dCoul(2, imA, imB) + wv(2)
[all …]
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