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Fix warning in Format string CI #2054: Pull request #1361 synchronize by foxtran
8m 6s foxtran:fix/modef
foxtran:fix/modef
8m 6s
Fix warning in Format string CI #2053: Pull request #1361 opened by foxtran
8m 5s foxtran:fix/modef
foxtran:fix/modef
8m 5s
Fix OpenMP thread memory leaks in aespot, coulomb, disp, and hamiltonian CI #2052: Pull request #1360 opened by DanielWicz
8m 46s DanielWicz:fix/omp-memory-leak-b9976c7
DanielWicz:fix/omp-memory-leak-b9976c7
8m 46s
Running MD considering periodic boundary conditions in xTB Close Stale #775: Issue #1320 labeled by chselz
11s
11s
Running MD considering periodic boundary conditions in xTB Close Stale #774: Issue #1320 labeled by chselz
11s
11s
Periodic boundary conditions not working for water dynamics Close Stale #773: Issue #1118 labeled by chselz
13s
13s
Periodic boundary conditions not working for water dynamics Close Stale #772: Issue #1118 labeled by chselz
9s
9s
GFN-FF scalability Close Stale #771: Issue #534 labeled by chselz
10s
10s
write current iter in xtbopt.log commentline (#1358) CI #2051: Commit 9d919f7 pushed by Albkat
10m 54s main
main
10m 54s
Struggling to optimize some large aromatic molecules Close Stale #770: Issue #1336 labeled by Albkat
16s
16s
Zr - F failed interactions Close Stale #769: Issue #1318 labeled by chselz
14s
14s
Zr - F failed interactions Close Stale #768: Issue #1318 labeled by chselz
19s
19s
write current iter in xtbopt.log commentline CI #2050: Pull request #1358 opened by chselz
9m 56s chselz:fix_issue_411
chselz:fix_issue_411
9m 56s
Close Stale Close Stale #767: Scheduled
14s main
main
14s
Fix 1352 (#1357) CI #2049: Commit a57fabb pushed by thfroitzheim
11m 8s main
main
11m 8s
Fix 1352 CI #2048: Pull request #1357 opened by foxtran
8m 16s foxtran:fix/1352
foxtran:fix/1352
8m 16s
Additional documentation needed for xtb IR module Close Stale #766: Issue #954 labeled by chselz
13s
13s
Additional documentation needed for xtb IR module Close Stale #765: Issue #954 labeled by chselz
12s
12s
Additional documentation needed for xtb IR module Close Stale #764: Issue #954 labeled by chselz
13s
13s
fix printout of dipro (#1356) CI #2047: Commit d05a470 pushed by thfroitzheim
13m 3s main
main
13m 3s
fix printout of dipro CI #2046: Pull request #1356 synchronize by thfroitzheim
8m 39s chselz:fix_issue_1334
chselz:fix_issue_1334
8m 39s
fix printout of dipro CI #2045: Pull request #1356 synchronize by chselz
9m 51s chselz:fix_issue_1334
chselz:fix_issue_1334
9m 51s
Reduce OpenMP stack usage for GFN2 optimizations (#1350) CI #2044: Commit b9976c7 pushed by thfroitzheim
9m 40s main
main
9m 40s
fix printout of dipro CI #2043: Pull request #1356 opened by chselz
9m 55s chselz:fix_issue_1334
chselz:fix_issue_1334
9m 55s
xTB DIPRO - orbital overlap units Close Stale #763: Issue #1334 labeled by chselz
12s
12s