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Commits on Aug 5, 2025

fix typo in reorder_inertia_hungarian (#128)
IliasChair IliasChair
authored

Commits on Jan 13, 2025

Commits on Jan 11, 2025

Commits on Jan 9, 2025

Improved inertia alignment method and improved documentation (#122)
charnleyhagenmuenkler
charnley
and
hagenmuenkler
authored

Commits on Dec 23, 2024

Use symbols on --print (#121)
charnley charnley
authored

Commits on Nov 30, 2024

Version 1.6.1
charnley charnley
committed
Added qmllib optional flag (#118)
charnleydimbleby
charnley
and
dimbleby
authored

Commits on Nov 28, 2024

Commits on Nov 24, 2024

Commits on Nov 23, 2024

Fixed bug that made --print output inconsitent (#112)
charnleytakafumi-shiraogawa
charnley
and
takafumi-shiraogawa
authored

Commits on Jan 31, 2024

Change 'print' by 'return' in main (#104)
iribirii iribirii
authored

Commits on Dec 17, 2023

fix typo (#101)
kamurani kamurani
authored

Commits on Nov 5, 2023

hotfix: added choices to argparse
charnley charnley
committed

Commits on Jan 6, 2023

Commits on Dec 23, 2022

Commits on Aug 3, 2022

Commits on Aug 2, 2022

Adding types (#81)
charnley charnley
authored

Commits on May 29, 2022

Added HETATM keyword for PDB reader (#89)
charnley charnley
authored

Commits on Jan 25, 2021

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