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Merge branch 'master' into jdftx
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soge8904 authored Oct 12, 2024
2 parents 8fc5b50 + 0e23c63 commit 6112996
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4 changes: 4 additions & 0 deletions src/custodian/jdftx/__init__.py
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"""
This package implements various JDFTx Jobs and Error Handlers.
Used Cp2kJob developed by Nick Winner as a template.
"""
2 changes: 0 additions & 2 deletions src/custodian/jdftx/jobs.py
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class JDFTxJob(Job):
"""A basic JDFTx job. Runs whatever is in the working directory."""

# Used Cp2kJob developed by Nick Winner as a template.

def __init__(
self,
jdftx_cmd,
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