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Pull requests: faccts/opi

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Pull requests list

feat:add block merge logic enhancement New feature or request
#274 opened Jul 31, 2026 by nakul680 Collaborator Loading…
1
@nakul680
feat: add Structure.to_ase() and adapt Structure.from_ase() enhancement New feature or request
#273 opened Jul 30, 2026 by haneug Contributor • Draft
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
3
fix: more precise unit conversion factors breaking change Introduces a backward-incompatible modification. bug Something isn't working
#269 opened Jul 24, 2026 by haneug Contributor Loading…
@haneug
fix: number of electrons with ghost atoms bug Something isn't working
#268 opened Jul 24, 2026 by haneug Contributor Loading…
1
@haneug
3
feat(Claude): adds project Claude folder to the gitignore list enhancement New feature or request
#265 opened Jul 21, 2026 by timmyte Contributor Loading… 3.0.0
@timmyte
WIP:feat/notebook tests testsuite Concerning the testsuite of OPI
#255 opened Jul 1, 2026 by nakul680 Collaborator Loading…
1
@nakul680
14
Updated BaseRunner.run API
#238 opened May 1, 2026 by MattBurn Contributor Loading…
1
@MattBurn
8
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
ProTip! Exclude everything labeled bug with -label:bug.