Py-ChemShell
23.0
  • Getting Started
  • Tasks
  • Theories
  • Objects
    • Fragment objects
    • Field objects
    • Result objects
  • Tools
  • Workflows
  • Developer guide
  • Release notes
  • About ChemShell
Py-ChemShell
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Objects

This section describes how chemical data is handled in ChemShell.

  • Fragment objects
    • Fragment properties
    • Fragment enquiry
    • Fragment functions
    • Atoms selecting methods
    • Cell object
    • BQs object
    • Shells object
  • Field objects
    • Field properties
  • Result objects
    • Result properties
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