CdftT

Jobs

  • Computing a chemical descriptor
    • Example input file
  • Computing the difference between two grids
    • Example input file
  • Computing local integrals
    • Available partition methods
    • Example input file
  • Computing partial charges
    • Available atomic volumes computation methods
    • Example input file
    • References
  • Converting analytical files
    • Supported input formats
    • Supported output formats
    • Example input file
  • Creating a density grid
    • Available Grid sizes
    • Supported input formats
    • Example input file
  • Creating an Electron Localization Function grid
    • Available methods:
    • Available Grid sizes
    • Supported input formats
    • Example input file
  • Computing molecular orbital values
    • Available orbital selections
    • Available spin types
    • Available Grid sizes
    • Supported input formats
    • Example input file
  • Show the Lambda Diagnostic
    • Transitions file format
    • Available Grid sizes
    • Supported input formats
    • Example input file
  • Computing energies with added point charges
    • Supported input formats for the analytic file
    • Supported input formats for the transitions file
    • Transitions file format
    • Available Verbose levels
    • Available Grid sizes
    • Example input file
CdftT
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