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science/py-optking: New port: Python version of the PSI4 geometry optimization…
b6381ec4095f
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science/py-optking: New port: Python version of the PSI4 geometry optimization program by R.A. King

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yuri	Authored on Dec 8 2022, 11:08 AM

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R11:4924d81ff4ce: science/dftd3: New port: S. Grimme's dispersion correction for DFT, Hartree…

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yuri committed R11:b6381ec4095f: science/py-optking: New port: Python version of the PSI4 geometry optimization… (authored by yuri).Dec 8 2022, 11:11 AM

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science/Makefile

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science/py-optking/Makefile

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science/py-optking/distinfo

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science/py-optking/pkg-descr

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