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0.6.0

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  • Installation
  • Getting Started
  • Development
  • exatomic package
    • Supported Software
    • func_log()
    • Subpackages
      • exatomic.adf package
      • exatomic.algorithms package
      • exatomic.core package
      • exatomic.exa package
      • exatomic.gaussian package
      • exatomic.interfaces package
      • exatomic.molcas package
      • exatomic.nbo package
        • Submodules
      • exatomic.nwchem package
      • exatomic.plotter package
      • exatomic.qchem package
      • exatomic.qe package
      • exatomic.util package
      • exatomic.widgets package
    • Submodules
exatomic
  • exatomic package
  • exatomic.nbo package
  • View page source

exatomic.nbo package

Submodules

  • exatomic.nbo.editor module
    • Gaussian Editor
    • Editor
  • exatomic.nbo.inputs module
    • exnbo Input Generator and Parser
    • InpMeta
      • InpMeta.atom
      • InpMeta.basis_set_order
      • InpMeta.momatrix
      • InpMeta.frame
      • InpMeta.overlap
    • Input
      • Input.parse_atom()
      • Input.parse_basis_set_order()
      • Input.parse_overlap()
      • Input.parse_momatrix()
      • Input.from_universe()
      • Input.atom
      • Input.basis_set_order
      • Input.frame
      • Input.momatrix
      • Input.overlap
  • exatomic.nbo.output module
    • exnbo Output Editor
    • Output
      • Output.to_universe()
      • Output.parse_nao()
      • Output.parse_nbo()
      • Output.parse_nlmo()
    • MOMatrix
      • MOMatrix.to_universe()
      • MOMatrix.parse_momatrix()
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© Copyright . Last updated on Apr 21, 2023.