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Pull requests: faccts/opi

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Pull requests list

feat: add Output.get_final_energy_components() enhancement New feature or request
#290 opened Sep 3, 2026 by haneug Contributor • Draft
2 tasks
3.0.0
1
@haneug
fix: support external xTB calculation convergence in scf_converged check bug Something isn't working
#272 opened Jul 29, 2026 by HeaTTap Loading…
1
@HeaTTap
9
WIP:feat/notebook tests testsuite Concerning the testsuite of OPI
#255 opened Jul 1, 2026 by nakul680 Collaborator Loading…
1
@nakul680
14
Orca MM Runner
#224 opened Mar 31, 2026 by MattBurn Contributor Loading…
1
@MattBurn
62
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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