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BattModels
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asimtools
Optimized workflow management and script handling for atomistic simulations
MIT License
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Usability improvements
#28
Open
mkphuthi
opened
10 months ago
mkphuthi
commented
10 months ago
[ ] Delete calc_input and env_input files for workflow scripts?
[ ] Chained should continue on the same job if two jobs use the same env_id
[x] Migrate to using relative paths
[ ] Store a database at root to be updated, this can hashcheck and update sim_inputs/calc_inputs
[ ] Resubmit certain levels of jobs
[x] The IDs for distributed jobs should now go in the output files not directory names and can have a prefix and suffix specified
[x] Add error file from slurm in corresponding