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xTB properties - polarizability tensor Close Stale #704: Issue #1259 labeled by thfroitzheim
9s
9s
GFN-FF: NaN bonded atm energy Close Stale #703: Issue #1261 labeled by thfroitzheim
8s
8s
GFN-FF: Wrong number of hydrogen bonds and therefore errors in energies Close Stale #702: Issue #1262 labeled by thfroitzheim
10s
10s
bench.xyz/1707_0569xWATER.xyz can not be optimized with GFN-FF Close Stale #701: Issue #1286 labeled by thfroitzheim
9s
9s
Update deriv_atm_triple subroutine (#1298) CI #1986: Commit dabf307 pushed by thfroitzheim
13m 21s main
main
13m 21s
Avoid some heavy instructions in xtb/hamiltonian (#1299) CI #1985: Commit 90980d6 pushed by thfroitzheim
10m 20s main
main
10m 20s
Update deriv_atm_triple subroutine CI #1984: Pull request #1298 synchronize by thfroitzheim
13m 33s foxtran:update/deriv_atm_triple
foxtran:update/deriv_atm_triple
13m 33s
Avoid some heavy instructions in xtb/hamiltonian CI #1983: Pull request #1299 synchronize by thfroitzheim
7m 56s foxtran:update/xtb-hamiltonian
foxtran:update/xtb-hamiltonian
7m 56s
Error while compiling xTB from source Close Stale #700: Issue #1307 labeled by thfroitzheim
9s
9s
Avoid meson 1.8.1 (#1300) CI #1982: Commit c769116 pushed by thfroitzheim
8m 36s main
main
8m 36s
Fixing a missing comma in QCG workflow Close Stale #699: Issue #1304 labeled by coffee-on-tap
11s
11s
JSON dipole printout does not take into account structure optimisation Close Stale #698: Issue #1301 labeled by FaustoMercierFanAccount
12s
12s
Close Stale Close Stale #697: Scheduled
12s main
main
12s
Avoid meson 1.8.1 CI #1981: Pull request #1300 opened by foxtran
8m 54s foxtran:fix/CI
foxtran:fix/CI
8m 54s
Avoid some heavy instructions in xtb/hamiltonian CI #1980: Pull request #1299 opened by foxtran
1m 7s foxtran:update/xtb-hamiltonian
foxtran:update/xtb-hamiltonian
1m 7s
Update deriv_atm_triple subroutine CI #1979: Pull request #1298 synchronize by foxtran
10m 29s foxtran:update/deriv_atm_triple
foxtran:update/deriv_atm_triple
10m 29s
Update deriv_atm_triple subroutine CI #1978: Pull request #1298 opened by foxtran
8m 5s foxtran:update/deriv_atm_triple
foxtran:update/deriv_atm_triple
8m 5s
SIGABRT signal; core dumped job Close Stale #696: Issue #1296 labeled by ustojiljkoff
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9s
Close Stale Close Stale #695: Scheduled
14s main
main
14s
Fortran format string error in optimizer.f90 when called by Poltype2 Close Stale #694: Issue #1293 labeled by KeitoHASEGAWA
11s
11s
Fix copying of TMolecule CI #1977: Pull request #1292 synchronize by foxtran
16m 34s foxtran:fix/copy
foxtran:fix/copy
16m 34s
Fix copying of TMolecule CI #1976: Pull request #1292 opened by foxtran
8m 34s foxtran:fix/copy
foxtran:fix/copy
8m 34s
Avoid spread intrinsic (#1281) CI #1975: Commit fe1c8ce pushed by thfroitzheim
11m 44s main
main
11m 44s
Add in-source Tracy profiler CI #1974: Pull request #1284 synchronize by foxtran
7m 42s foxtran:feature/tracy
foxtran:feature/tracy
7m 42s
Add in-source Tracy profiler CI #1973: Pull request #1284 synchronize by foxtran
7m 55s foxtran:feature/tracy
foxtran:feature/tracy
7m 55s