globus-labs / mof-generation-at-scale

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• 15Apr24-gb
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Build # 18281008128

Build Type

push

github

Committed by web-flow

Commit Message

Switch to using ML-IAP for LAMMPS, at least on Polaris (#215)

* Change the build instructions for Polaris

* Add cuEQ to environment, use when compiling model

* Support MACE ML-IAP in the MACE runner

* Document ML-IAP runner

* Explain how to configure a MACE model

* Update the component test

Run Details

5 of 13 new or added lines in 1 file covered. (38.46%)

9 existing lines in 1 file now uncovered.

4549 of 9509 relevant lines covered (47.84%)

0.48 hits per line