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Add utility script for fixing molden files with incorrect orbital normalisation#5

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JMorado merged 1 commit into
michellab:masterfrom
JMorado:issue-4-fix-mo-normalization
Jul 9, 2026
Merged

Add utility script for fixing molden files with incorrect orbital normalisation#5
JMorado merged 1 commit into
michellab:masterfrom
JMorado:issue-4-fix-mo-normalization

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@JMorado

@JMorado JMorado commented Jul 9, 2026

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Fixes #4.

@JMorado JMorado force-pushed the issue-4-fix-mo-normalization branch from e55aa99 to 8bfd999 Compare July 9, 2026 12:07
@michellab michellab deleted a comment from codecov Bot Jul 9, 2026
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codecov Bot commented Jul 9, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
⚠️ Please upload report for BASE (master@508fbb9). Learn more about missing BASE report.

Additional details and impacted files
@@            Coverage Diff            @@
##             master       #5   +/-   ##
=========================================
  Coverage          ?   75.58%           
=========================================
  Files             ?       17           
  Lines             ?      770           
  Branches          ?        0           
=========================================
  Hits              ?      582           
  Misses            ?      188           
  Partials          ?        0           

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@JMorado JMorado merged commit d486bea into michellab:master Jul 9, 2026
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@JMorado JMorado deleted the issue-4-fix-mo-normalization branch July 9, 2026 12:09
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Error loading wavefunction file

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