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Fix: fix a bug of relax_nmax default #5506

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Merged
merged 8 commits into from
Nov 19, 2024
Merged

Fix: fix a bug of relax_nmax default #5506

merged 8 commits into from
Nov 19, 2024

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@WHUweiqingzhou
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@WHUweiqingzhou WHUweiqingzhou commented Nov 15, 2024

Fix #5236

@mohanchen mohanchen added the Input&Output Suitable for coders without knowing too many DFT details label Nov 19, 2024
@mohanchen mohanchen merged commit 8c9e0da into deepmodeling:develop Nov 19, 2024
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@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Nov 19, 2024
@WHUweiqingzhou WHUweiqingzhou mentioned this pull request Dec 5, 2024
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@WHUweiqingzhou WHUweiqingzhou deleted the relax branch December 26, 2024 06:44
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
@WHUweiqingzhou @Fisherd99
Fix: fix a bug of relax_nmax default (deepmodeling#5506)
064cdbd 
* fix a bug of relax_nmax default

* forbid relax_nmax=1 if relax

* Revert "forbid relax_nmax=0 if relax"

This reverts commit 00409db.

* Revert "fix a bug of relax_nmax default"

This reverts commit 86af7fc.

* the default value of relax_nmax as 0

* add some comment

* docs
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Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes

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Request: the default value of relax_nmax is unreasonable

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@WHUweiqingzhou @mohanchen