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Mybfgs#5661

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19hello wants to merge 33 commits intodeepmodeling:developdeepmodeling/abacus-develop:developfrom 19hello:mybfgs19hello/myrepo:mybfgsCopy head branch name to clipboard

+7-2

Commits

Commits on Nov 12, 2024

• bfgs

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  committed
  cf1d4cf

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• bfgs1

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  committed
  710c6ce

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Commits on Nov 15, 2024

• Update bfgs method

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  committed
  37461e5

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• Merge branch 'develop' of https://gitee.com/deepmodeling/abacus-develop into mybfgs

  19hello

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  8baf4e8

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• bfgs_trad

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  1899f53

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• new bfgs method

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  2c4cb0a

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• new bfgs_trad method

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  e5c4282

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Commits on Nov 17, 2024

• new bfgs_trad

  19hello

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  97211a5

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• Merge branch 'develop' into mybfgs

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  authored
  12f8b4a

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• bfgs2

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  39f9cb1

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• bfgs_trad3

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  ef98545

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Commits on Nov 18, 2024

• bfgs_trad2

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  d8dfacb

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• bfgs_trad

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  af4ea04

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• bfgs_trad

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  7bb9786

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• bfgs_trad

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  4c75875

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• Merge branch 'develop' into mybfgs

  19hello

  authored
  978dae0

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• bfgs_trad

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  d5b1c14

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

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  committed
  e2c386f

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• bfgs_trad

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  73a8136

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Commits on Nov 19, 2024

• Merge branch 'develop' of https://github.com/deepmodeling/abacus-develop into mybfgs1

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  ca6e24e

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• bfgs_trad

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  a02316b

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Commits on Nov 20, 2024

• bfgs_trad

  19hello

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  cc0b5ed

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• bfgs_trad

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  55ee2c0

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• bfgs_trad

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  8e9f2d8

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Commits on Nov 21, 2024

• bfgs_trad

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  9c3c405

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Commits on Nov 23, 2024

• Use force_ev_thr to judge optimization

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  caac72a

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Commits on Nov 25, 2024

• remove 108_PW_RE_MB_NEW

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  12d607e

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Commits on Nov 29, 2024

• Add determine whether an atom is movable code and modify the value of relax_bfgs_rmax to 0.2

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  c4a9719

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• [pre-commit.ci lite] apply automatic fixes

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  authored
  7166b1b

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Commits on Dec 1, 2024

• bfgs_trad

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  f12109b

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• Merge branch 'mybfgs' of https://github.com/19hello/myrepo into mybfgs1

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  committed
  d0bd693

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Commits on Dec 2, 2024

• update bfgs method

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  e394d58

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• update bfgs method

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  fbb27b3

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