| /dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/libxtp/aomatrices/ |
| H A D | aomultipole.cc | 113 PmA(0) * nuc3(0, 0, m) - PmC(0) * nuc3(0, 0, m + 1); in FillBlock()
115 PmA(1) * nuc3(0, 0, m) - PmC(1) * nuc3(0, 0, m + 1); in FillBlock()
117 PmA(2) * nuc3(0, 0, m) - PmC(2) * nuc3(0, 0, m + 1); in FillBlock()
125 double term = fak * (nuc3(0, 0, m) - nuc3(0, 0, m + 1)); in FillBlock()
126 nuc3(Cart::xx, 0, m) = PmA(0) * nuc3(Cart::x, 0, m) - in FillBlock()
132 nuc3(Cart::yy, 0, m) = PmA(1) * nuc3(Cart::y, 0, m) - in FillBlock()
136 nuc3(Cart::zz, 0, m) = PmA(2) * nuc3(Cart::z, 0, m) - in FillBlock()
239 nuc3(i, Cart::x, m) = PmB(0) * nuc3(i, 0, m) - in FillBlock()
241 nuc3(i, Cart::y, m) = PmB(1) * nuc3(i, 0, m) - in FillBlock()
243 nuc3(i, Cart::z, m) = PmB(2) * nuc3(i, 0, m) - in FillBlock()
[all …]
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| /dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/libxtp/aomatrices/ |
| H A D | aomultipole.cc | 113 PmA(0) * nuc3(0, 0, m) - PmC(0) * nuc3(0, 0, m + 1); in FillBlock()
115 PmA(1) * nuc3(0, 0, m) - PmC(1) * nuc3(0, 0, m + 1); in FillBlock()
117 PmA(2) * nuc3(0, 0, m) - PmC(2) * nuc3(0, 0, m + 1); in FillBlock()
125 double term = fak * (nuc3(0, 0, m) - nuc3(0, 0, m + 1)); in FillBlock()
126 nuc3(Cart::xx, 0, m) = PmA(0) * nuc3(Cart::x, 0, m) - in FillBlock()
132 nuc3(Cart::yy, 0, m) = PmA(1) * nuc3(Cart::y, 0, m) - in FillBlock()
136 nuc3(Cart::zz, 0, m) = PmA(2) * nuc3(Cart::z, 0, m) - in FillBlock()
239 nuc3(i, Cart::x, m) = PmB(0) * nuc3(i, 0, m) - in FillBlock()
241 nuc3(i, Cart::y, m) = PmB(1) * nuc3(i, 0, m) - in FillBlock()
243 nuc3(i, Cart::z, m) = PmB(2) * nuc3(i, 0, m) - in FillBlock()
[all …]
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| /dports/biology/mmseqs2/MMseqs2-13-45111/src/util/ |
| H A D | translateaa.cpp | 35 for (size_t nuc3 = 0; nuc3 < 4 && found == false; nuc3++) { in translateaa() local
38 data[2] = nucLookup[nuc3]; in translateaa()
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| /dports/biology/ncbi-cxx-toolkit/ncbi_cxx--25_2_0/src/algo/align/prosplign/ |
| H A D | nucprot.hpp | 87 inline char nuc2a(int nuc1, int nuc2, int nuc3) const in nuc2a()
89 return aa_table[nuc1*(8*8)+nuc2*8+nuc3]; // need 5, use 8 for speed in nuc2a()
129 …int nuc1, int nuc2, int nuc3, char amin) const { return scaled_subst_matrix[int(amin)][int(m_trans… in MultScore() argument
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| /dports/science/code_saturne/code_saturne-7.1.0/src/atmo/ |
| H A D | nuclea.f90 | 363 nuc3 = 0.5d0 * ntotal3 * (1.d0-ferf(ugauss3))
365 nuc=nuc1+nuc2+nuc3
369 nuc3snc = nuc3/ntotal3
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| /dports/biology/hyphy/hyphy-2.5.33/res/TemplateBatchFiles/ |
| H A D | BranchSiteRELMultiModel.bf | 16 HarvestFrequencies (nuc3, dsf, 3, 1, 1);
17 nucCF = CF3x4 (nuc3, GeneticCodeExclusions);
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| H A D | BranchSiteREL.bf | 65 HarvestFrequencies (nuc3, dsf, 3, 1, 1);
68 nucCF = CF3x4 (nuc3, GeneticCodeExclusions);
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| /dports/biology/hyphy/hyphy-2.5.33/res/TemplateBatchFiles/SelectionAnalyses/ |
| H A D | BranchSiteREL.bf | 97 HarvestFrequencies (nuc3, dsf, 3, 1, 1);
100 nucCF = CF3x4 (nuc3, GeneticCodeExclusions);
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| /dports/biology/emboss/EMBOSS-6.6.0/emboss/ |
| H A D | edialign.c | 116 char nuc1, nuc2, nuc3 ; variable
1290 nuc3 = edialign_invert( seq[hv][ii] ); in main()
1292 amino_c[hv][ii] = edialign_translate( nuc1 , nuc2 , nuc3 , in main()
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| /dports/biology/mrbayes/MrBayes-3.2.7/src/ |
| H A D | mcmc.c | 6894 nuc1, nuc2, nuc3, codingNucCode, allNucCode; in InitParsSets() local
7056 for (nuc3=0; nuc3<4; nuc3++) in InitParsSets()
7060 … if (IsBitSet(nuc1, &x1) == YES && IsBitSet(nuc2, &x2) == YES && IsBitSet(nuc3, &x3) == YES) in InitParsSets()
7092 for (nuc3=0; nuc3<4; nuc3++) in InitParsSets()
7096 … if (IsBitSet(nuc1, &x1) == YES && IsBitSet(nuc2, &x2) == YES && IsBitSet(nuc3, &x3) == YES) in InitParsSets()
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| H A D | model.c | 1953 nGone, nuc1, nuc2, nuc3, foundStopCodon, posNucs1[4], posNucs2[4], posNucs3[4], in CheckExpandedModels() local
2111 nuc3 = matrix[pos(t,c+2,numChar)]; in CheckExpandedModels()
2115 GetPossibleNucs (nuc3, posNucs3); in CheckExpandedModels()
2138 … taxaNames[t], c+1, c+3, WhichNuc (nuc1), WhichNuc (nuc2), WhichNuc (nuc3), mp->geneticCode); in CheckExpandedModels()
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