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Pynta restart for NERSC and Polaris#43

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sakim8048 wants to merge 12 commits intomasterzadorlab/pynta:masterfrom pynta-restartzadorlab/pynta:pynta-restartCopy head branch name to clipboard

+661-43

Commits

Commits on Apr 3, 2024

• polaris mapping info added in polaris.py

  

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• Add machine keyword to pynta object

  

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• Pickle slab info

  

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• add machine keyword and polaris mapping

  

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• Contibutor acknowledgement: Restart design contribution by RHE

  

  rayhe88

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• copyDataAndSave added in util. Function called in pyn.reset()

  

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• import module

  

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• multi_launcher.py for parallel environment. Required for reset()

  

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• add pickle to pynta object

  

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• delete unnecessary variables

  

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Commits on Jan 10, 2025

• new function optimize_lattice_parameter(): update a0 and optimize a until the difference between a0 and a is 0.001.

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• import module optimize_lattice_parameter

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