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Achievement: Pair ExtraordinaireAchievement: Pull SharkAchievement: Quickdraw

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Popular repositories Loading

  1. octopus_tutorials octopus_tutorials Public archive

    Tutorials of (TD)DFT calculations within Octopus

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  2. yingxingcheng.github.io yingxingcheng.github.io Public

    YingXing's CV

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  3. pydirac pydirac Public

    An interface to connect DIRAC

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  4. Gaussium Gaussium Public

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    A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.

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  5. libmbd libmbd Public

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    Many-body dispersion library

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  6. XtalComp XtalComp Public

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    Compare two descriptions of crystal structures to see if the have the same underlying structure

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