| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/qtgui/ |
| H A D | customelementdialog.cpp | 101 Core::Array<unsigned char>& atomicNumbers = m_molecule.atomicNumbers(); in apply() local
134 const Core::Array<unsigned char>& atomicNumbers = m_molecule.atomicNumbers(); in prepareForm() local
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| H A D | rwmolecule.h | 722 inline const Core::Array<unsigned char>& RWMolecule::atomicNumbers() const in atomicNumbers() function
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/qtgui/ |
| H A D | customelementdialog.cpp | 101 Core::Array<unsigned char>& atomicNumbers = m_molecule.atomicNumbers(); in apply() local
134 const Core::Array<unsigned char>& atomicNumbers = m_molecule.atomicNumbers(); in prepareForm() local
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| H A D | rwmolecule.h | 722 inline const Core::Array<unsigned char>& RWMolecule::atomicNumbers() const in atomicNumbers() function
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| /dports/math/vtk8/VTK-8.2.0/Domains/Chemistry/Testing/Cxx/ |
| H A D | TestPointSetToMoleculeFilter.cxx | 103 vtkDataArray* atomicNumbers = molecule->GetAtomicNumberArray(); in TestPointSetToMoleculeFilter() local
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| /dports/math/vtk9/VTK-9.1.0/Domains/Chemistry/Testing/Cxx/ |
| H A D | TestPointSetToMoleculeFilter.cxx | 103 vtkDataArray* atomicNumbers = molecule->GetAtomicNumberArray(); in TestPointSetToMoleculeFilter() local
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| /dports/math/vtk9/VTK-9.1.0/Rendering/RayTracing/ |
| H A D | vtkOSPRayMoleculeMapperNode.cxx | 137 vtkUnsignedShortArray* atomicNumbers = molecule->GetAtomicNumberArray(); in Render() local
229 vtkUnsignedShortArray* atomicNumbers = molecule->GetAtomicNumberArray(); in Render() local
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/io/ |
| H A D | vaspformat.cpp | 117 vector<unsigned char> atomicNumbers; in read() local
265 Array<unsigned char> atomicNumbers = mol.atomicNumbers(); in write() local
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| H A D | lammpsformat.cpp | 448 Array<unsigned char> atomicNumbers = mol2.atomicNumbers(); in write() local
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/io/ |
| H A D | vaspformat.cpp | 117 vector<unsigned char> atomicNumbers; in read() local
265 Array<unsigned char> atomicNumbers = mol.atomicNumbers(); in write() local
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| /dports/science/jdftx/jdftx-1.6.0/jdftx/fluid/ |
| H A D | PCM.h | 76 …std::vector<int> atomicNumbers; //!< atomic number for each solvent site (for dispersion interacti… variable
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| /dports/science/dftbplus/dftbplus-19.1/prog/waveplot/ |
| H A D | waveplot.F90 | 339 subroutine writeCubeFile(geo, atomicNumbers, gridVecs, origin, gridVal, & argument
346 integer, intent(in) :: atomicNumbers(:) local
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/protocall/ |
| H A D | moleculeserializer.cpp | 110 std::vector<unsigned char> atomicNumbers = m_molecule->atomicNumbers(); in serializeAtomicNumbers() local
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/protocall/ |
| H A D | moleculeserializer.cpp | 110 std::vector<unsigned char> atomicNumbers = m_molecule->atomicNumbers(); in serializeAtomicNumbers() local
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| /dports/science/openbabel/openbabel-3.1.1/src/formats/ |
| H A D | abinitformat.cpp | 91 vector<int> atomicNumbers, atomTypes; in ReadMolecule() local
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/quantum/ |
| H A D | MopacSlaterReader.java | 38 protected int[] atomicNumbers; field in MopacSlaterReader
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/core/ |
| H A D | spacegroups.cpp | 245 Array<unsigned char> atomicNumbers = mol.atomicNumbers(); in fillUnitCell() local
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| H A D | molecule.cpp | 222 Array<unsigned char>& Molecule::atomicNumbers() in atomicNumbers() function in Avogadro::Core::Molecule
227 const Array<unsigned char>& Molecule::atomicNumbers() const in atomicNumbers() function in Avogadro::Core::Molecule
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/core/ |
| H A D | spacegroups.cpp | 245 Array<unsigned char> atomicNumbers = mol.atomicNumbers(); in fillUnitCell() local
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| H A D | molecule.cpp | 222 Array<unsigned char>& Molecule::atomicNumbers() in atomicNumbers() function in Avogadro::Core::Molecule
227 const Array<unsigned char>& Molecule::atomicNumbers() const in atomicNumbers() function in Avogadro::Core::Molecule
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| /dports/math/vtk6/VTK-6.2.0/Domains/Chemistry/ |
| H A D | vtkMoleculeMapper.cxx | 511 unsigned short atomicNumbers[2]; in UpdateBondGlyphPolyData() local
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| /dports/math/vtk8/VTK-8.2.0/Domains/Chemistry/ |
| H A D | vtkVASPTessellationReader.cxx | 419 std::vector<unsigned short> atomicNumbers; in ReadTimeStep() local
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| /dports/math/vtk9/VTK-9.1.0/IO/Chemistry/ |
| H A D | vtkVASPTessellationReader.cxx | 411 std::vector<unsigned short> atomicNumbers; in ReadTimeStep() local
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/qtplugins/yaehmop/ |
| H A D | yaehmop.cpp | 416 const Array<unsigned char>& atomicNumbers = m_molecule->atomicNumbers(); in createGeometryAndLatticeInput() local
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/qtplugins/yaehmop/ |
| H A D | yaehmop.cpp | 416 const Array<unsigned char>& atomicNumbers = m_molecule->atomicNumbers(); in createGeometryAndLatticeInput() local
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