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Update to v0.6.1
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atomate/__init__.py

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__version__ = "0.6.0"
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atomate Changelog
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=================
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**v0.6.1**
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* many improvements to documentation (A. Jain, B. Bocklund)
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* add DFPTFW (K. Mathew)
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* simplify LepsFW - move Raman into RamanFW (K. Mathew)
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* copy piezo tensor to output (S. Dwaraknath)
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**v0.6.0**
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* Gibbs preset workflow and anharmonic contributions (B. Bocklund)

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