5
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Commits : Listings

Analyzed about 1 year ago. based on code collected about 1 year ago.
Jan 16, 2023 — Jan 16, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Continue refactoring More... over 1 year ago
Refactor More... over 1 year ago
Use regex for coordinate file More... over 1 year ago
Use regex for version More... over 1 year ago
Add water files More... over 1 year ago
rename More... over 1 year ago
fix More... over 1 year ago
Use standard water test file More... over 1 year ago
fix test suite More... over 1 year ago
patch More... over 1 year ago
fix init type hint More... over 1 year ago
Add type hints More... over 1 year ago
add data file More... over 1 year ago
patch More... over 1 year ago
patch More... over 1 year ago
xTB: rename class from XTB to xTB More... over 1 year ago
See https://github.com/cclib/cclib/commit/91c8d60a1a3e7b4b1bf902982dddbda60d53551d from refs/heads/master More... over 1 year ago
Merge pull request #1287 from computerscienceiscool/patch-1 More... over 1 year ago
Update development.rst
JJ
More... over 1 year ago
improve variable name More... over 1 year ago
split length 2 atom and atom index More... over 1 year ago
Merge pull request #176 from oliver-s-lee/orca-etsyms More... over 1 year ago
Merge pull request #1276 from oliver-s-lee/orca-etsyms More... over 1 year ago
Merge pull request #1277 from oliver-s-lee/mem-fix More... over 1 year ago
Fixed case sensitive comparison of Gaussian memory in input section More... over 1 year ago
Merge pull request #1271 from oliver-s-lee/meta-performance More... over 1 year ago
Added a fix for orca excited states sometimes not being printed identically across sections More... over 1 year ago
Added regression file for orca excited state rounding problem More... over 1 year ago
Removed unused .cjson file More... over 1 year ago
Added missing case conversion More... over 1 year ago