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Constrained DFT #61

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Constrained DFT #61

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Commits on Apr 19, 2024

  1. #58 don't force two PES's in Penalty PES to have the same lot object 

    also uncommented a couple of utility functions in nifty.py
    @joshkamm
    joshkamm committed Apr 19, 2024
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Commits on Apr 26, 2024

  1. Merge remote-tracking branch 'origin/master' into joshkamm/issue58

    @joshkamm
    joshkamm committed Apr 26, 2024
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Commits on Apr 27, 2024

  1. wip #58 trying small set system

    @joshkamm
    joshkamm committed Apr 27, 2024
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Commits on May 3, 2024

  1. #58 updating pyGSM parameters

    @joshkamm
    joshkamm committed May 3, 2024
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  2. #58 cleaning up MECP_opt.py

    @joshkamm
    joshkamm committed May 3, 2024
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Commits on May 11, 2024

  1. #58 clean up and playing with parameters of penalty pes

    @joshkamm
    joshkamm committed May 11, 2024
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