Searched refs:AOInts (Results 1 – 4 of 4) sorted by relevance
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rimp2/debugging/ |
| H A D | stupid_xf.F | 13 Double precision AOInts(NBF, NFit, NBF), First(NVir, NFit, NBF),
63 AOInts(P, S, Q) = Dbl_MB(Int_Idx + Offset)
83 $ FP_One, C(1, NOcc+1), NBF, AOInts, NBF,
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/rimp2/debugging/ |
| H A D | stupid_xf.F | 13 Double precision AOInts(NBF, NFit, NBF), First(NVir, NFit, NBF),
63 AOInts(P, S, Q) = Dbl_MB(Int_Idx + Offset)
83 $ FP_One, C(1, NOcc+1), NBF, AOInts, NBF,
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| /dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/ |
| H A D | InputData.cpp | 2899 Method = AOInts = LMOMP2 = 0; in InitData()
2919 if (AOInts == 0) return NULL; in GetAOIntMethodText()
2920 if (AOInts == 1) return "DUP"; in GetAOIntMethodText()
2925 if (!strcasecmp(t, "DUP")) AOInts = 1; in SetAOIntMethod()
2926 else if (!strcasecmp(t, "DIST")) AOInts = 2; in SetAOIntMethod()
2929 if ((NewMethod == 1)||(NewMethod == 2)) AOInts = NewMethod; in SetAOIntMethod()
2930 return AOInts; in SetAOIntMethod()
2947 if ((NumCoreElectrons>=0)||Memory||Method||AOInts) test = true; in WriteToFile()
2986 if (AOInts) { in WriteToFile()
3012 if (AOInts) Ele->addChildElement(CML_convert(MMP_IOMGAOInts), GetAOIntMethodText()); in WriteXML()
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| H A D | InputData.h | 741 char AOInts; variable
757 inline char GetAOIntMethod(void) const {return AOInts;}; in GetAOIntMethod()
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