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Store additional properties in ASE calculator #658

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Store additional properties in ASE calculator #658

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Commits on Jun 18, 2024

  1. Store additional properties in ASE calculator

    @frostedoyster
    frostedoyster committed Jun 18, 2024
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  2. Allow to use vesin in ASE calculator

    @frostedoyster
    frostedoyster committed Jun 18, 2024
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  3. Merge branch 'master' into ase-store

    @frostedoyster
    frostedoyster committed Jun 18, 2024
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  4. Merge branch 'ase-store' into vesin-for-ase

    @frostedoyster
    frostedoyster committed Jun 18, 2024
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Commits on Jun 21, 2024

  1. Merge branch 'master' into vesin-for-ase

    @frostedoyster
    frostedoyster committed Jun 21, 2024
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Commits on Jun 28, 2024

  1. Merge branch 'master' into ase-store

    @frostedoyster
    frostedoyster committed Jun 28, 2024
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  2. Add storing mechanism for requests every n steps

    @frostedoyster
    frostedoyster committed Jun 28, 2024
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Commits on Jun 29, 2024

  1. Update ase_calculator.py

    @frostedoyster
    frostedoyster committed Jun 29, 2024
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  2. Update ase_calculator.py

    @frostedoyster
    frostedoyster committed Jun 29, 2024
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