| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/quantumio/ |
| H A D | gamessukout.cpp | 323 bool newAtom = true, gotAtom = false, firstAtom = true; in readBasisSet() local
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/quantumio/ |
| H A D | gamessukout.cpp | 323 bool newAtom = true, gotAtom = false, firstAtom = true; in readBasisSet() local
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/io/ |
| H A D | lammpsformat.cpp | 211 Atom newAtom = mol.addAtom(it->second); in read() local
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/io/ |
| H A D | lammpsformat.cpp | 211 Atom newAtom = mol.addAtom(it->second); in read() local
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| /dports/science/massxpert/massxpert-c229f4a1abde3c20b83a90e50f9c5d79104dfa5f/gui/ |
| H A D | atomDefDlg.cpp | 213 Atom *newAtom = new Atom(tr("Type Name"), in addAtomPushButtonClicked() local
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| /dports/science/vipster/vipster-1.19.1b-14-g7168a1b/vipster/ |
| H A D | step.cpp | 42 void Step::newAtom(std::string name, Vec coord, AtomProperties prop) in newAtom() function in Step
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| /dports/science/mdynamix/md528/cifo/src/ |
| H A D | CifCrystal.cpp | 217 Atom newAtom; in processSymmetries() local
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| /dports/science/shelxle/shelxle-1.0.1352/ |
| H A D | dsrglwindow.cpp | 290 MyAtom newAtom; in display_fragment() local
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| /dports/science/gabedit/GabeditSrc251_300720/src/Display/ |
| H A D | RingsOrb.c | 173 gint newAtom = connected[currentAtom][i]; in inRing() local
603 gint newAtom = connected[currentAtom][i]; in findRings() local
614 gint newAtom = connected[currentAtom][i]; in findRings() local
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| H A D | OrbitalsQChem.c | 572 gboolean newAtom = TRUE; in DefineQChemBasisType() local
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| /dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/ |
| H A D | Internals.cpp | 437 long newAtom = Count/3; in AppendAtom() local
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| H A D | Files.cpp | 2344 mpAtom * newAtom = lFrame->AddAtom(atomtype, position); in ParseTinkerCoordinates() local
2386 mpAtom * newAtom = lFrame->AddAtom(atomtype, position); in ParseSIMMOMLogFile() local
3894 mpAtom * newAtom = lFrame->AddAtom(AtomType, Pos); in ReadInitialFragmentCoords() local
3942 mpAtom * newAtom = lFrame->AddAtom(AtomType, Pos); in ReadFragmentCoordinates() local
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| /dports/science/cdk/cdk-cdk-2.3/storage/ctab/src/main/java/org/openscience/cdk/io/ |
| H A D | MDLV2000Reader.java | 588 IAtom newAtom = molecule.getBuilder().newInstance(IAtom.class, atom); in fixHydrogenIsotopes() local
594 IAtom newAtom = molecule.getBuilder().newInstance(IAtom.class, atom); in fixHydrogenIsotopes() local
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| /dports/lang/spidermonkey78/firefox-78.9.0/xpcom/ds/ |
| H A D | nsAtomTable.cpp | 625 RefPtr<nsAtom> newAtom = in AtomizeMainThread() local
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| /dports/mail/thunderbird/thunderbird-91.8.0/xpcom/ds/ |
| H A D | nsAtomTable.cpp | 624 RefPtr<nsAtom> newAtom = in AtomizeMainThread() local
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| /dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/main/java/uk/ac/cam/ch/wwmm/opsin/ |
| H A D | FragmentManager.java | 375 Atom newAtom =new Atom(id, atom.getElement(), newFragment); in copyAndRelabelFragment() local
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| /dports/www/firefox/firefox-99.0/xpcom/ds/ |
| H A D | nsAtomTable.cpp | 624 RefPtr<nsAtom> newAtom = in AtomizeMainThread() local
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| /dports/www/firefox-esr/firefox-91.8.0/xpcom/ds/ |
| H A D | nsAtomTable.cpp | 624 RefPtr<nsAtom> newAtom = in AtomizeMainThread() local
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ChemReactions/ |
| H A D | ReactionRunner.cpp | 304 auto *newAtom = new Atom(*oAtom); in convertTemplateToMol() local
860 auto *newAtom = new Atom(reactAtom); in addMissingProductAtom() local
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/core/ |
| H A D | crystaltools.cpp | 584 Atom newAtom = molecule.addAtom(atomicNums.at(i)); in buildSupercell() local
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/core/ |
| H A D | crystaltools.cpp | 584 Atom newAtom = molecule.addAtom(atomicNums.at(i)); in buildSupercell() local
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| /dports/math/clasp/clasp-3.3.5/libpotassco/src/ |
| H A D | convert.cpp | 76 Atom_t newAtom() { return next_++; } in newAtom() function
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| /dports/math/clingo/clingo-5.5.1/clasp/libpotassco/src/ |
| H A D | convert.cpp | 76 Atom_t newAtom() { return next_++; } in newAtom() function
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| /dports/lang/spidermonkey60/firefox-60.9.0/xpcom/ds/ |
| H A D | nsAtomTable.cpp | 739 RefPtr<nsAtom> newAtom = dont_AddRef(new nsDynamicAtom(aUTF16String, hash)); in AtomizeMainThread() local
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| /dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/smiles/smarts/parser/ |
| H A D | SmartsQueryVisitor.java | 388 SMARTSAtom newAtom = (SMARTSAtom) child.jjtAccept(this, null); in visit() local
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