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fix(io): add space separators in out_mat_l format string#7453

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mintleaf84 wants to merge 1 commit into
deepmodeling:developfrom
mintleaf84:fix-out-mat-l-format
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fix(io): add space separators in out_mat_l format string#7453
mintleaf84 wants to merge 1 commit into
deepmodeling:developfrom
mintleaf84:fix-out-mat-l-format

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Reminder

  • Have you linked an issue with this pull request?
  • Have you added adequate unit tests and/or case tests for your pull request?
  • Have you noticed possible changes of behavior below or in the linked issue?
  • Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #6907

Unit Tests and/or Case Tests for my changes

No additional tests required. This is a simple format string fix.

What's changed?

  • Add space separators between integer fields in out_mat_l format string
  • When the number of atoms exceeds 150, the columns in Lx/Ly/Lz.dat output files become indistinguishable because the %4d format fields are not separated by spaces

Any changes of core modules? (ignore if not applicable)

No changes to core modules. The modification is only in the output format string.

When the number of atoms exceeds 150, the columns in Lx/Ly/Lz.dat
output files become indistinguishable because the %4d format fields
are not separated by spaces.

Fixes deepmodeling#6907
@monkeycode-ai monkeycode-ai Bot force-pushed the fix-out-mat-l-format branch from 909957c to 9b79091 Compare June 8, 2026 06:52
@mintleaf84 mintleaf84 closed this Jun 8, 2026
@mintleaf84 mintleaf84 deleted the fix-out-mat-l-format branch June 8, 2026 07:08
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Successfully merging this pull request may close these issues.

out_mat_l given a irregular results when the atoms exceed 150.

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