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Implement a new BFGS optimizer, used for geometry relaxation #5467

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Implement a new BFGS optimizer, used for geometry relaxation #5467

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Commits on Nov 12, 2024

  1. bfgs

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  2. bfgs1

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Commits on Nov 15, 2024

  1. Update bfgs method

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  2. Merge branch 'develop' of https://gitee.com/deepmodeling/abacus-develop… 

    … into mybfgs
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  3. bfgs_trad

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  4. new bfgs method

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  5. new bfgs_trad method

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Commits on Nov 17, 2024

  1. new bfgs_trad

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  2. Merge branch 'develop' into mybfgs

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  3. bfgs2

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  4. bfgs_trad3

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Commits on Nov 18, 2024

  1. bfgs_trad2

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  2. bfgs_trad

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  3. bfgs_trad

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  4. bfgs_trad

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  5. Merge branch 'develop' into mybfgs

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  6. bfgs_trad

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  7. Merge branch 'mybfgs' of https://github.com/19hello/myrepo into mybfgs

    @19hello
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  8. bfgs_trad

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Commits on Nov 19, 2024

  1. Merge branch 'develop' of https://github.com/deepmodeling/abacus-develop 

     into mybfgs1
    @19hello
    19hello committed Nov 19, 2024
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  2. bfgs_trad

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Commits on Nov 20, 2024

  1. bfgs_trad

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  2. bfgs_trad

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  3. bfgs_trad

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Commits on Nov 21, 2024

  1. bfgs_trad

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Commits on Nov 23, 2024

  1. Use force_ev_thr to judge optimization

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Commits on Nov 25, 2024

  1. remove 108_PW_RE_MB_NEW

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    19hello committed Nov 25, 2024
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