Searched refs:nngau1 (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_vxc_atom.F | 1014 maxl, maxso, n1, n2, na, ngau1, ngau2, nngau1, nr, nset, size1 local 1073 nngau1 = nsoset(lmin(iset1) - 1) + ngau1 1140 int_hh(ispin)%r_coef(nngau1 + 1, iso2), 1) 1142 int_ss(ispin)%r_coef(nngau1 + 1, iso2), 1) 1187 max_iso_not0_local, max_s_harm, maxl, maxso, n1, n2, na, ngau1, ngau2, nngau1, nr, nset, & local 1260 nngau1 = nsoset(lmin(iset1) - 1) + ngau1 1410 int_hh(ispin)%r_coef(nngau1 + 1, iso2), 1) 1412 int_ss(ispin)%r_coef(nngau1 + 1, iso2), 1) 1450 nngau1, nr, nset, size1 local 1528 nngau1 = nsoset(lmin(iset1) - 1) + ngau1 [all …]
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H A D | xas_tdp_atom.F | 3062 ngau1, ngau2, nngau1, nr, nset, size1 local 3117 nngau1 = nsoset(lmin(iset1) - 1) + ngau1 3162 CALL daxpy(size1, 1.0_dp, matso(iso1, ic), 1, intso(nngau1 + 1, iso2), 1)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_vxc_atom.F | 997 maxl, maxso, n1, n2, na, ngau1, ngau2, nngau1, nr, nset, size1 local 1056 nngau1 = nsoset(lmin(iset1) - 1) + ngau1 1123 int_hh(ispin)%r_coef(nngau1 + 1, iso2), 1) 1125 int_ss(ispin)%r_coef(nngau1 + 1, iso2), 1) 1170 max_iso_not0_local, max_s_harm, maxl, maxso, n1, n2, na, ngau1, ngau2, nngau1, nr, nset, & local 1243 nngau1 = nsoset(lmin(iset1) - 1) + ngau1 1393 int_hh(ispin)%r_coef(nngau1 + 1, iso2), 1) 1395 int_ss(ispin)%r_coef(nngau1 + 1, iso2), 1) 1433 nngau1, nr, nset, size1 local 1511 nngau1 = nsoset(lmin(iset1) - 1) + ngau1 [all …]
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H A D | xas_tdp_atom.F | 3001 n2, na, ngau1, ngau2, nngau1, nr, nset, size1, sr local 3057 nngau1 = nsoset(lmin(iset1) - 1) + ngau1 3102 CALL daxpy(size1, 1.0_dp, matso(iso1, ic), 1, intso(nngau1 + 1, iso2), 1)
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