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Implementation of OPC and OPC3 water models#156

Merged
talagayev merged 4 commits intowolberlab:mainfrom
talagayev:OPC_implementation
Jun 17, 2025
Merged

Implementation of OPC and OPC3 water models#156
talagayev merged 4 commits intowolberlab:mainfrom
talagayev:OPC_implementation

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@talagayev talagayev commented Jun 17, 2025

Changes made:

  • Addition of the OPC and OPC3 water model selection option in OpenMMDL Setup

PR Checklist

  • Issue raised/referenced?
  • Tests updated/added?
  • Documentation updated/added?
  • CHANGELOG file updated?
  • Is your name in AUTHORS?

added OPC and OPC3 selection options
added OPC and OPC3 water models
addition of pytests for opc and opc3
changelog update
@talagayev talagayev merged commit 67d2e90 into wolberlab:main Jun 17, 2025
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@talagayev talagayev deleted the OPC_implementation branch June 17, 2025 17:02
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