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dftd3 / simple-dftd3 Public

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Add pass-through arguments and allow setting parameters in PySCF wrapper #38

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Add pass-through arguments and allow setting parameters in PySCF wrapper

Add pass-through arguments and allow setting parameters in PySCF wrapper #38

Summary
Jobs
- Analyze (python)
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- Usage
- Workflow file

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Job	Run time
Analyze (python)	5m 41s
	5m 41s

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