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Pull requests: faccts/opi

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Pull requests list

feat: add get_fcidump to output enhancement New feature or request side output Concerning parsing ORCA output
#253 opened Jun 19, 2026 by haneug Contributor Loading… 3.0.0
@haneug
13
Updated BaseRunner.run API
#238 opened May 1, 2026 by MattBurn Contributor Loading…
1
@MattBurn
4
WIP: Added instance method to generate MolBar from Structure enhancement New feature or request side input Concerning writing ORCA input
#236 opened Apr 29, 2026 by crjacinto Contributor Loading…
1
@crjacinto
21
RMSD and Rotational Constants Modules
#230 opened Apr 17, 2026 by crjacinto Contributor Loading…
1
@crjacinto
105
Orca MM Runner
#224 opened Mar 31, 2026 by MattBurn Contributor Loading…
1
@MattBurn
42
SimpleTask feature
#218 opened Mar 16, 2026 by nakul680 Collaborator Loading…
@nakul680
77
Bugfix/update chemtorch tutorial documentation Improvements or additions to documentation enhancement New feature or request
#154 opened Nov 12, 2025 by tonyzamyatin Contributor Loading… 3.0.0
@tonyzamyatin
11
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