BattModels / asimtools

Optimized workflow management and script handling for atomistic simulations
MIT License
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Add new simulations to chained and distributed without failing #18

Closed mkphuthi closed 2 months ago

mkphuthi commented 1 year ago

Current implementation: When new simulations are added to an already run distributed job, you have to overwrite to add the new jobs. Ideally, asimtools should realize that those jobs are already done and skipt them to only do the jobs that not yet done or failed. This can use asim-check to rebuild an expected file structure and check it