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Searched refs:ndoub (Results 1 – 5 of 5) sorted by relevance

/dports/science/cdk/cdk-cdk-2.3/descriptor/qsarmolecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/
H A DALOGPDescriptor.java1071 int ndoub = 0; in getHAtomType() local
1079 ndoub++; in getHAtomType()
1109 if (ndoub == 0 && ntrip == 0) in getHAtomType()
1111 else if (ndoub == 1 && ntrip == 0) in getHAtomType()
1113 else if (ndoub == 2 || ntrip == 1) in getHAtomType()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/lucia/
H A Dlucia_gtbce.F2020 ndoub = 3
2023 ndoub = 2 ! only alpha and alpha/beta part
2122 write(6,*) ioff_sing(1:nsing), ioff_doub(1:ndoub)
2123 write(6,*) ilen_sing(1:nsing), ilen_doub(1:ndoub)
2205 do ii = 1, ndoub
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/lucia/
H A Dlucia_gtbce.F2020 ndoub = 3
2023 ndoub = 2 ! only alpha and alpha/beta part
2122 write(6,*) ioff_sing(1:nsing), ioff_doub(1:ndoub)
2123 write(6,*) ilen_sing(1:nsing), ilen_doub(1:ndoub)
2205 do ii = 1, ndoub
/dports/print/texlive-base/texlive-20150521-source/utils/pmx/pmx-2.7.0/
H A Dpmxab.c12001 ++ndoub; in fnote_()
12014 ++ndoub; in fnote_()
12646 ndoub = 1; in g1etnote_()
12648 ndoub = 0; in g1etnote_()
12689 ndoub = 1; in g1etnote_()
18149 ndoub = 1; in getnote_()
18151 ndoub = 0; in getnote_()
18179 ndoub = 1; in getnote_()
18854 ++ndoub; in getnote_()
35869 ndoub = 1; in setupb_()
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H A Dpmx270.for7377 ndoub = 0
7380 if (ip1m1.lt.ip .and. btest(nacc(ivx,ip1m1),18)) ndoub=ndoub+1
7390 if (btest(nacc(ivx,iip),18)) ndoub = ndoub+1
7791 ndoub = 1
7793 ndoub = 0
7823 ndoub = 1
8355 ndoub = ndoub+1
12163 ndoub = ndoub+1
15082 ndoub = 0
15084 if (btest(nacc(ivx,iiip),18)) ndoub = ndoub+1
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