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Pull requests: michellab/a3fe
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Replace template_config.cfg with Pydantic config
#26
by Roy-Haolin-Du
was merged Jan 8, 2025
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Replace run_somd.sh with Pydantic configuration class
#25
by fjclark
was merged Jan 5, 2025
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Ensure SimulationRunnerIterator saves states when tearing down
#24
by fjclark
was merged Jan 6, 2025
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1 task done
Feature decouple somd 2
enhancement
New feature or request
#23
by fjclark
was merged Jan 4, 2025
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1 task done
Feature Improved CalcSet
enhancement
New feature or request
#22
by fjclark
was merged Jan 2, 2025
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1 task done
Feature decouple somd
enhancement
New feature or request
#13
by Roy-Haolin-Du
was closed Jan 3, 2025
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Refactored SystemPrepConfig and SlurmConfig; ruff format and check, u…
#12
by Roy-Haolin-Du
was closed Nov 28, 2024
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Avoid pickling simulation_runners before complete initialisation
#2
by fjclark
was merged Jul 4, 2024
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1 task done
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