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Feature decouple somd 2 #23

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fjclark
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@fjclark fjclark commented Jan 3, 2025

Description

Implement stage 1 of decoupling SOMD - remove all run_somd.sh and replace with SlurmConfig.

Status

  • Ready to go

Still a work in progress - comments would be great.

@fjclark fjclark requested a review from Roy-Haolin-Du January 3, 2025 12:45
@fjclark fjclark added the enhancement New feature or request label Jan 3, 2025
@fjclark fjclark mentioned this pull request Jan 3, 2025
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A negligible point:
from ..configuration import SystemPreparationConfig as _SystemPreparationConfig

@Roy-Haolin-Du Roy-Haolin-Du merged commit b11c846 into michellab:feature-decouple-somd-2 Jan 4, 2025
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2 participants