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Close Stale Close Stale #737: Scheduled
September 1, 2025 00:07 9s main
main
September 1, 2025 00:07 9s
Segmentation fault when runing geometry optimisation with the binary release on linux Close Stale #736: Issue #1338 labeled by fabboyrie
August 27, 2025 13:37 12s
August 27, 2025 13:37 12s
Negative charge density values for rotated PF6- Close Stale #735: Issue #1337 labeled by FaustoMercierFanAccount
August 27, 2025 09:55 11s
August 27, 2025 09:55 11s
Close Stale Close Stale #734: Scheduled
August 25, 2025 00:06 13s main
main
August 25, 2025 00:06 13s
Struggling to optimize some large aromatic molecules Close Stale #733: Issue #1336 labeled by bismuthadams1
August 22, 2025 15:23 11s
August 22, 2025 15:23 11s
Close Stale Close Stale #732: Scheduled
August 18, 2025 00:06 12s main
main
August 18, 2025 00:06 12s
Remove CPCM-X library CI #2011: Pull request #1325 synchronize by foxtran
August 13, 2025 19:34 12m 11s foxtran:remove/cpcmx
foxtran:remove/cpcmx
August 13, 2025 19:34 12m 11s
Close Stale Close Stale #731: Scheduled
August 11, 2025 00:07 11s main
main
August 11, 2025 00:07 11s
xtb thermo --turbomole Close Stale #730: Issue #1333 labeled by debruinb
August 6, 2025 11:18 10s
August 6, 2025 11:18 10s
"Missing comma between descriptors" Fortran error in conda xtb Close Stale #729: Issue #1332 labeled by MAGaoFer
August 5, 2025 12:24 10s
August 5, 2025 12:24 10s
Close Stale Close Stale #728: Scheduled
August 4, 2025 00:07 13s main
main
August 4, 2025 00:07 13s
Use dummy logical variable (#1331) CI #2010: Commit 7618f60 pushed by thfroitzheim
August 1, 2025 16:44 8m 59s main
main
August 1, 2025 16:44 8m 59s
Use dummy logical variable CI #2009: Pull request #1331 synchronize by foxtran
July 31, 2025 08:16 12m 23s foxtran:fix/1327
foxtran:fix/1327
July 31, 2025 08:16 12m 23s
Use dummy logical variable CI #2008: Pull request #1331 opened by foxtran
July 31, 2025 08:16 8m 57s foxtran:fix/1327
foxtran:fix/1327
July 31, 2025 08:16 8m 57s
Add in-source Tracy profiler CI #2007: Pull request #1284 synchronize by foxtran
July 31, 2025 06:47 7m 57s foxtran:feature/tracy
foxtran:feature/tracy
July 31, 2025 06:47 7m 57s
Write output JSON after frequency analysis (#1316) CI #2006: Commit 795d87d pushed by thfroitzheim
July 30, 2025 20:06 9m 39s main
main
July 30, 2025 20:06 9m 39s
electronic temperature now also set via command line for tblite (#1327) CI #2005: Commit 32860fd pushed by thfroitzheim
July 30, 2025 20:03 8m 27s main
main
July 30, 2025 20:03 8m 27s
Remove CPCM-X library CI #2004: Pull request #1325 synchronize by foxtran
July 30, 2025 19:50 12m 59s foxtran:remove/cpcmx
foxtran:remove/cpcmx
July 30, 2025 19:50 12m 59s
Write output JSON after frequency analysis CI #2003: Pull request #1316 synchronize by thfroitzheim
July 30, 2025 19:46 19m 6s AlbertoBoldrini:main
AlbertoBoldrini:main
July 30, 2025 19:46 19m 6s
electronic temperature now also set for tblite correctly via command line flag --etemp CI #2002: Pull request #1327 synchronize by thfroitzheim
July 30, 2025 19:45 14m 21s gorges97:main
gorges97:main
July 30, 2025 19:45 14m 21s
Update build system (#1324) CI #2001: Commit 0e38454 pushed by thfroitzheim
July 30, 2025 19:44 16m 27s main
main
July 30, 2025 19:44 16m 27s
Close Stale Close Stale #727: Scheduled
July 28, 2025 00:06 11s main
main
July 28, 2025 00:06 11s
Compilation error from source with modules (AMBER24 compatibility) Close Stale #726: Issue #1329 labeled by camattelaer
July 21, 2025 19:44 12s
July 21, 2025 19:44 12s
Close Stale Close Stale #725: Scheduled
July 21, 2025 00:07 9s main
main
July 21, 2025 00:07 9s
Running MD considering periodic boundary conditions in xTB Close Stale #724: Issue #1320 labeled by Thomas3R
July 15, 2025 11:43 15s
July 15, 2025 11:43 15s