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electronic temperature now also set for tblite correctly via command line flag --etemp CI #2000: Pull request #1327 opened by gorges97
July 10, 2025 09:32 8m 30s gorges97:main
gorges97:main
July 10, 2025 09:32 8m 30s
Remove CPCM-X library CI #1999: Pull request #1325 opened by foxtran
July 2, 2025 09:31 7m 34s foxtran:remove/cpcmx
foxtran:remove/cpcmx
July 2, 2025 09:31 7m 34s
Update build system CI #1998: Pull request #1324 synchronize by foxtran
July 2, 2025 08:54 13m 39s foxtran:fix/CI
foxtran:fix/CI
July 2, 2025 08:54 13m 39s
Update build system CI #1997: Pull request #1324 opened by foxtran
July 2, 2025 08:53 8m 29s foxtran:fix/CI
foxtran:fix/CI
July 2, 2025 08:53 8m 29s
Add in-source Tracy profiler CI #1996: Pull request #1284 synchronize by foxtran
July 2, 2025 08:45 9m 25s foxtran:feature/tracy
foxtran:feature/tracy
July 2, 2025 08:45 9m 25s
Add in-source Tracy profiler CI #1995: Pull request #1284 synchronize by foxtran
July 2, 2025 08:33 8m 39s foxtran:feature/tracy
foxtran:feature/tracy
July 2, 2025 08:33 8m 39s
Write output JSON after frequency analysis CI #1994: Pull request #1316 opened by AlbertoBoldrini
June 22, 2025 16:29 11m 19s AlbertoBoldrini:main
AlbertoBoldrini:main
June 22, 2025 16:29 11m 19s
Fix xtb+tblite builds CI #1993: Pull request #1312 synchronize by foxtran
June 15, 2025 16:17 5m 47s foxtran:fix/tblite
foxtran:fix/tblite
June 15, 2025 16:17 5m 47s
Fix xtb+tblite builds CI #1992: Pull request #1312 opened by foxtran
June 15, 2025 15:27 5m 58s foxtran:fix/tblite
foxtran:fix/tblite
June 15, 2025 15:27 5m 58s
Exclude to-self bond in 3B-bond correction list b3list (#1289) CI #1991: Commit d3f212b pushed by Thomas3R
June 11, 2025 11:52 8m 39s main
main
June 11, 2025 11:52 8m 39s
ORCA executable check vs gnome screen reader using SCF keyword in bin… CI #1990: Commit d1f890c pushed by Albkat
June 11, 2025 07:40 8m 25s main
main
June 11, 2025 07:40 8m 25s
Exclude to-self bond in 3B-bond correction list b3list CI #1989: Pull request #1289 synchronize by thfroitzheim
June 11, 2025 07:23 8m 2s Thomas3R:main
Thomas3R:main
June 11, 2025 07:23 8m 2s
ORCA executable check vs gnome screen reader using SCF keyword in binary CI #1988: Pull request #1309 synchronize by lmseidler
June 10, 2025 10:44 17m 46s lmseidler:main
lmseidler:main
June 10, 2025 10:44 17m 46s
ORCA executable check vs gnome screen reader using SCF keyword in binary CI #1987: Pull request #1309 opened by lmseidler
June 10, 2025 10:22 10m 54s lmseidler:main
lmseidler:main
June 10, 2025 10:22 10m 54s
Update deriv_atm_triple subroutine (#1298) CI #1986: Commit dabf307 pushed by thfroitzheim
June 8, 2025 21:10 13m 21s main
main
June 8, 2025 21:10 13m 21s
Avoid some heavy instructions in xtb/hamiltonian (#1299) CI #1985: Commit 90980d6 pushed by thfroitzheim
June 8, 2025 21:10 10m 20s main
main
June 8, 2025 21:10 10m 20s
Update deriv_atm_triple subroutine CI #1984: Pull request #1298 synchronize by thfroitzheim
June 8, 2025 20:48 13m 33s foxtran:update/deriv_atm_triple
foxtran:update/deriv_atm_triple
June 8, 2025 20:48 13m 33s
Avoid some heavy instructions in xtb/hamiltonian CI #1983: Pull request #1299 synchronize by thfroitzheim
June 8, 2025 20:48 7m 56s foxtran:update/xtb-hamiltonian
foxtran:update/xtb-hamiltonian
June 8, 2025 20:48 7m 56s
Avoid meson 1.8.1 (#1300) CI #1982: Commit c769116 pushed by thfroitzheim
June 6, 2025 20:01 8m 36s main
main
June 6, 2025 20:01 8m 36s
Avoid meson 1.8.1 CI #1981: Pull request #1300 opened by foxtran
May 31, 2025 22:24 8m 54s foxtran:fix/CI
foxtran:fix/CI
May 31, 2025 22:24 8m 54s
Avoid some heavy instructions in xtb/hamiltonian CI #1980: Pull request #1299 opened by foxtran
May 31, 2025 21:18 1m 7s foxtran:update/xtb-hamiltonian
foxtran:update/xtb-hamiltonian
May 31, 2025 21:18 1m 7s
Update deriv_atm_triple subroutine CI #1979: Pull request #1298 synchronize by foxtran
May 31, 2025 18:20 10m 29s foxtran:update/deriv_atm_triple
foxtran:update/deriv_atm_triple
May 31, 2025 18:20 10m 29s
Update deriv_atm_triple subroutine CI #1978: Pull request #1298 opened by foxtran
May 31, 2025 18:19 8m 5s foxtran:update/deriv_atm_triple
foxtran:update/deriv_atm_triple
May 31, 2025 18:19 8m 5s
Fix copying of TMolecule CI #1977: Pull request #1292 synchronize by foxtran
May 21, 2025 18:51 16m 34s foxtran:fix/copy
foxtran:fix/copy
May 21, 2025 18:51 16m 34s
Fix copying of TMolecule CI #1976: Pull request #1292 opened by foxtran
May 21, 2025 18:48 8m 34s foxtran:fix/copy
foxtran:fix/copy
May 21, 2025 18:48 8m 34s