vibrav
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      • ADF parser API
      • Generating the displaced structures from a Gaussian frequencies calculation
      • Molcas parser API
      • Using derivative module
      • Running vibronic calculations from a Molcas RASSI set of calculations
      • VROA intensities of hydrogen peroxide
      • VROA intensities of methyloxirane
      • Tutorial for using the ZPVC module in VIBRAV
      • vibrav package
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      • vibrav.adf package
        • Submodules
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vibrav.adf package¶

Submodules¶

  • vibrav.adf.output module
    • Tape21
      • Tape21.atom
      • Tape21.frequency
      • Tape21.gradient
      • Tape21.j_coupling
      • Tape21.nmr_shielding
      • Tape21.parse_atom()
      • Tape21.parse_frequency()
      • Tape21.parse_gradient()
      • Tape21.parse_j_coupling()
      • Tape21.parse_nmr_shielding()
    • Tape21Meta
      • Tape21Meta.atom
      • Tape21Meta.frequency
      • Tape21Meta.gradient
      • Tape21Meta.j_coupling
      • Tape21Meta.nmr_shielding

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