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[pull] main from grimme-lab:main CI #1365: Pull request #252 opened by pull bot
February 12, 2025 14:23 11m 49s grimme-lab:main
grimme-lab:main
February 12, 2025 14:23 11m 49s
Fixing aISS distance constrain fix (#1194) CI #1364: Commit 3ae3b55 pushed by pull bot
February 12, 2025 14:23 8m 59s main
main
February 12, 2025 14:23 8m 59s
[pull] main from grimme-lab:main CI #1363: Pull request #251 opened by pull bot
February 12, 2025 08:23 8m 2s grimme-lab:main
grimme-lab:main
February 12, 2025 08:23 8m 2s
Fix xtb/docking test (#1173) CI #1362: Commit 8066e56 pushed by pull bot
February 12, 2025 08:23 8m 12s main
main
February 12, 2025 08:23 8m 12s
Avoid division by zero in disp module (#1190) CI #1361: Commit 8631a45 pushed by pull bot
February 12, 2025 02:23 11m 25s main
main
February 12, 2025 02:23 11m 25s
[pull] main from grimme-lab:main CI #1360: Pull request #250 opened by pull bot
February 12, 2025 02:23 7m 53s grimme-lab:main
grimme-lab:main
February 12, 2025 02:23 7m 53s
[pull] main from grimme-lab:main CI #1359: Pull request #249 opened by pull bot
February 11, 2025 08:23 7m 58s grimme-lab:main
grimme-lab:main
February 11, 2025 08:23 7m 58s
Initialize some variables for xtb/iff test (#1189) CI #1358: Commit c8c187c pushed by pull bot
February 11, 2025 08:23 13m 25s main
main
February 11, 2025 08:23 13m 25s
Fix division by zero at geoopt (#1170) CI #1357: Commit 40c757e pushed by pull bot
February 11, 2025 02:23 9m 1s main
main
February 11, 2025 02:23 9m 1s
[pull] main from grimme-lab:main CI #1356: Pull request #248 opened by pull bot
February 11, 2025 02:23 7m 40s grimme-lab:main
grimme-lab:main
February 11, 2025 02:23 7m 40s
clarify units of the Hessian matrix (#1188) CI #1355: Commit 3bb036e pushed by pull bot
February 9, 2025 14:23 8m 17s main
main
February 9, 2025 14:23 8m 17s
[pull] main from grimme-lab:main CI #1354: Pull request #247 opened by pull bot
February 9, 2025 14:23 7m 45s grimme-lab:main
grimme-lab:main
February 9, 2025 14:23 7m 45s
[pull] main from grimme-lab:main CI #1353: Pull request #246 opened by pull bot
February 8, 2025 02:23 12m 22s grimme-lab:main
grimme-lab:main
February 8, 2025 02:23 12m 22s
Provide updated .xtbrc (#1180) CI #1352: Commit ef197a9 pushed by pull bot
February 8, 2025 02:23 8m 15s main
main
February 8, 2025 02:23 8m 15s
[pull] main from grimme-lab:main CI #1351: Pull request #245 opened by pull bot
February 7, 2025 14:23 12m 23s grimme-lab:main
grimme-lab:main
February 7, 2025 14:23 12m 23s
Avoid integer overflow in main/geometry.f90 (#1186) CI #1350: Commit 12fcd37 pushed by pull bot
February 7, 2025 14:23 12m 3s main
main
February 7, 2025 14:23 12m 3s
implicit integers everywhere (#1183) CI #1349: Commit 7b9935b pushed by pull bot
February 6, 2025 08:23 8m 25s main
main
February 6, 2025 08:23 8m 25s
[pull] main from grimme-lab:main CI #1348: Pull request #244 opened by pull bot
February 6, 2025 08:23 8m 27s grimme-lab:main
grimme-lab:main
February 6, 2025 08:23 8m 27s
[pull] main from grimme-lab:main CI #1347: Pull request #243 opened by pull bot
February 6, 2025 02:23 7m 48s grimme-lab:main
grimme-lab:main
February 6, 2025 02:23 7m 48s
Enable hyphen separated range of atoms to modify mass (#1179) CI #1346: Commit 91dbeea pushed by pull bot
February 6, 2025 02:23 8m 25s main
main
February 6, 2025 02:23 8m 25s
Fix typos (#1181) CI #1345: Commit 5f7a2e2 pushed by pull bot
February 5, 2025 20:23 12m 21s main
main
February 5, 2025 20:23 12m 21s
[pull] main from grimme-lab:main CI #1344: Pull request #242 opened by pull bot
February 5, 2025 20:23 8m 23s grimme-lab:main
grimme-lab:main
February 5, 2025 20:23 8m 23s
[pull] main from grimme-lab:main CI #1343: Pull request #241 opened by pull bot
February 5, 2025 14:23 8m 4s grimme-lab:main
grimme-lab:main
February 5, 2025 14:23 8m 4s
CEH gradients (#1153) CI #1342: Commit e8cac25 pushed by pull bot
February 5, 2025 14:23 8m 39s main
main
February 5, 2025 14:23 8m 39s
fix ternary condition CI #1341: Commit a0fdd25 pushed by Albkat
February 5, 2025 08:24 14m 27s custom-lib
custom-lib
February 5, 2025 08:24 14m 27s