8000 Commits · qcxms/QCxMS · GitHub

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Commits

Commits on Nov 20, 2024

Fix fragip losing shape info by bad assignment

tornikeo
authored and
JayTheDog
committed

Commits on Nov 21, 2023

Commits on Oct 18, 2023

Commits on May 30, 2023

Set ORCA default settings when using ORCA 5 (#64)
gorges97
authored

Commits on Sep 20, 2022

Version 5.2.1 (#56)
JayTheDog
authored

Commits on Jul 25, 2022

Version 5.2.0 update (#55)
JayTheDog
authored

Commits on Jun 15, 2022

Update to tblite 0.2.x (#53)
awvwgk
authored

Commits on Jun 14, 2022

Add examples and scripts from distribution to repository (#52)
awvwgk
authored

Commits on Feb 4, 2022

Allow compiling QCxMS with GCC (#47)
awvwgk
authored

Commits on Nov 29, 2021

Update README information on PlotMS
JayTheDog
authored

Commits on Sep 29, 2021

bugfix temprun, output, info
JayTheDog
committed

Commits on Sep 17, 2021

Commits on Sep 1, 2021

Enable ORCA grid settings and version control (#29)
JayTheDog
authored

Commits on Aug 30, 2021

CID Bugfix; update MNDO (#26)
JayTheDog
authored

Commits on Aug 27, 2021

added QCpath option (#24)
JayTheDog
authored

Commits on Aug 26, 2021

Commits on Aug 25, 2021

Allow finding tblite as dependency (#16)
awvwgk
authored

Commits on Aug 9, 2021

Commits on Aug 6, 2021

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