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Model Chemistry

  • Getting Started
  • User Guide
  • Developer Documentation
  • API Documentation
    • Development Team
    • History
    • Main SEAMM documentation
    • SEAMM Documentation
    • MolSSI
  • GitHub
  • Twitter
  • Getting Started
  • User Guide
  • Developer Documentation
  • API Documentation
  • Development Team
  • History
  • Main SEAMM documentation
  • SEAMM Documentation
  • MolSSI
  • GitHub
  • Twitter

Section Navigation

  • Installation
  • Usage
  • Contributing
  • Campaigns
    • YYYY-MM-DD Initial development campaign
      • Phase B – Model Chemistry Step (selection + storage)
  • Developer Documentation
  • Campaigns
  • YYYY-MM-DD Initial development campaign

YYYY-MM-DD Initial development campaign#

Goal of v1#

Produce a SEAMM plug-in …

Contents:

  • Phase B – Model Chemistry Step (selection + storage)
    • Scope
    • Confirmed SEAMM mechanics
    • The _model_chemistry contract
    • Open decisions
    • Grammar (delivered)
    • Next steps (pending D1-D4)
    • References

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Phase B – Model Chemistry Step (selection + storage)
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  • Goal of v1
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