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  1. Improve output accuracy of Exx_Opt_Orb
  2. Change default value of exx_opt_orb_tolerence

@mohanchen mohanchen added Refactor Refactor ABACUS codes EXX and lr-TDDFT Related to EXX or lr-TDDFT labels Sep 16, 2025
@mohanchen mohanchen merged commit 3d1a861 into deepmodeling:develop Sep 16, 2025
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kluonj pushed a commit to kluonj/abacus-develop that referenced this pull request Sep 28, 2025
* Refactor: change cal_proj() to cal_mul() in Exx_Opt_Orb

* 1. Improve output accuracy of Exx_Opt_Orb
2. Change default value of exx_opt_orb_tolerence

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Co-authored-by: linpz <[email protected]>
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EXX and lr-TDDFT Related to EXX or lr-TDDFT Refactor Refactor ABACUS codes

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3 participants