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docs/_sources/changelog.rst.txt

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atomate Changelog
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=================
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**v0.6.4**
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* add config option for half_kpts_first and max force (A. Jain, S. Dwaraknath)
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* better logic for band structure parsing (S. Dwaraknath)
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* misc bugfix (P. Huck)
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**v0.6.3**
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* fix Gibbs wf db insertion (A. Dunn, K. Mathew)

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