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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
Showing page 6 of 184
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Contributor
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Code Location
Date
Continue refactoring
Andrew Rosen
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over 1 year ago
Refactor
Andrew Rosen
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over 1 year ago
Use regex for coordinate file
Andrew Rosen
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over 1 year ago
Use regex for version
Andrew Rosen
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over 1 year ago
Add water files
Andrew Rosen
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over 1 year ago
rename
Andrew Rosen
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over 1 year ago
fix
Andrew Rosen
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over 1 year ago
Use standard water test file
Andrew Rosen
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over 1 year ago
fix test suite
Andrew Rosen
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over 1 year ago
patch
Andrew Rosen
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over 1 year ago
fix init type hint
Andrew Rosen
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over 1 year ago
Add type hints
Andrew Rosen
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over 1 year ago
add data file
Andrew Rosen
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over 1 year ago
patch
Andrew Rosen
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over 1 year ago
patch
Andrew Rosen
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over 1 year ago
xTB: rename class from XTB to xTB
Eric Berquist
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over 1 year ago
See https://github.com/cclib/cclib/commit/91c8d60a1a3e7b4b1bf902982dddbda60d53551d from refs/heads/master
cclib
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over 1 year ago
Merge pull request #1287 from computerscienceiscool/patch-1
Eric Berquist
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over 1 year ago
Update development.rst
JJ
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over 1 year ago
improve variable name
Amanda Dumi
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over 1 year ago
split length 2 atom and atom index
Amanda Dumi
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over 1 year ago
Merge pull request #176 from oliver-s-lee/orca-etsyms
Shiv Upadhyay
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over 1 year ago
Merge pull request #1276 from oliver-s-lee/orca-etsyms
Oliver Lee
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over 1 year ago
Merge pull request #1277 from oliver-s-lee/mem-fix
Shiv Upadhyay
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over 1 year ago
Fixed case sensitive comparison of Gaussian memory in input section
oliver-s-lee
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over 1 year ago
Merge pull request #1271 from oliver-s-lee/meta-performance
Shiv Upadhyay
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over 1 year ago
Added a fix for orca excited states sometimes not being printed identically across sections
oliver-s-lee
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over 1 year ago
Added regression file for orca excited state rounding problem
oliver-s-lee
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over 1 year ago
Removed unused .cjson file
oliver-s-lee
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over 1 year ago
Added missing case conversion
oliver-s-lee
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over 1 year ago
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