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accuracy->set%acc (#866) CI #1312: Commit a52f3d3 pushed by Albkat
September 17, 2023 19:46 16m 13s main
main
September 17, 2023 19:46 16m 13s
Dimer Projection Method DIPRO for xtb CI #1311: Pull request #856 synchronize by demonic-daisy
September 14, 2023 09:35 14m 21s demonic-daisy:master
demonic-daisy:master
September 14, 2023 09:35 14m 21s
accuracy -> set%acc CI #1310: Pull request #866 opened by Albkat
September 13, 2023 17:44 13m 50s Albkat:set_acc
Albkat:set_acc
September 13, 2023 17:44 13m 50s
Add "--tmcosmo" mode for writing .cosmo files with TM convention. CI #1309: Pull request #864 opened by MtoLStoN
September 13, 2023 10:17 15m 49s MtoLStoN:tmcosmo
MtoLStoN:tmcosmo
September 13, 2023 10:17 15m 49s
Dimer Projection Method DIPRO for xtb CI #1308: Pull request #856 synchronize by MtoLStoN
August 28, 2023 09:21 12m 59s demonic-daisy:master
demonic-daisy:master
August 28, 2023 09:21 12m 59s
Dimer Projection Method DIPRO for xtb CI #1307: Pull request #856 opened by demonic-daisy
August 25, 2023 13:31 4m 50s demonic-daisy:master
demonic-daisy:master
August 25, 2023 13:31 4m 50s
Fix namespace option with cpcmx (#855) CI #1306: Commit 000b4f9 pushed by MtoLStoN
August 25, 2023 09:00 14m 10s main
main
August 25, 2023 09:00 14m 10s
Fix namespace option with cpcmx CI #1305: Pull request #855 opened by MtoLStoN
August 25, 2023 07:33 14m 35s MtoLStoN:cpx_namespace
MtoLStoN:cpx_namespace
August 25, 2023 07:33 14m 35s
Fix setup of special torsion potential (#854) CI #1304: Commit 9644c13 pushed by Thomas3R
August 24, 2023 12:50 7m 13s main
main
August 24, 2023 12:50 7m 13s
Resolves #849 Bug in special torsion potential CI #1303: Pull request #854 opened by Thomas3R
August 24, 2023 12:14 16m 17s Thomas3R:main
Thomas3R:main
August 24, 2023 12:14 16m 17s
add ONIOM references and update derived mode (#853) CI #1302: Commit 590bc82 pushed by Albkat
August 24, 2023 11:26 18m 4s main
main
August 24, 2023 11:26 18m 4s
add ONIOM references and update derived mode CI #1301: Pull request #853 synchronize by Albkat
August 24, 2023 09:25 13m 14s Albkat:derivative
Albkat:derivative
August 24, 2023 09:25 13m 14s
add ONIOM references and update derived mode CI #1300: Pull request #853 synchronize by Albkat
August 23, 2023 14:04 12m 42s Albkat:derivative
Albkat:derivative
August 23, 2023 14:04 12m 42s
add ONIOM references and update derived mode CI #1299: Pull request #853 opened by Albkat
August 23, 2023 12:21 13m 18s Albkat:derivative
Albkat:derivative
August 23, 2023 12:21 13m 18s
dist_check in ONIOM & error check in TAtomList (#851) CI #1298: Commit 7919bb5 pushed by Albkat
August 23, 2023 08:46 15m 50s main
main
August 23, 2023 08:46 15m 50s
update ONIOM and TAtomList CI #1297: Pull request #851 synchronize by Albkat
August 22, 2023 09:46 13m 18s Albkat:small_update
Albkat:small_update
August 22, 2023 09:46 13m 18s
update ONIOM and TAtomList CI #1296: Pull request #851 opened by Albkat
August 21, 2023 16:17 16m 47s Albkat:small_update
Albkat:small_update
August 21, 2023 16:17 16m 47s
writing updated coord AND xtbopt.xyz during external driver optimizat… CI #1295: Commit 8386f77 pushed by marcelmbn
August 18, 2023 18:04 17m 10s main
main
August 18, 2023 18:04 17m 10s
writing updated coord AND xtbopt.xyz during external driver optimization (including nicer printout) CI #1294: Pull request #828 synchronize by marcelmbn
August 18, 2023 14:27 13m 48s marcelmbn:main
marcelmbn:main
August 18, 2023 14:27 13m 48s
writing updated coord AND xtbopt.xyz during external driver optimization (including nicer printout) CI #1293: Pull request #828 synchronize by marcelmbn
August 18, 2023 12:35 14m 24s marcelmbn:main
marcelmbn:main
August 18, 2023 12:35 14m 24s
writing updated coord AND xtbopt.xyz during external driver optimization (including nicer printout) CI #1292: Pull request #828 synchronize by marcelmbn
August 18, 2023 12:12 13m 22s marcelmbn:main
marcelmbn:main
August 18, 2023 12:12 13m 22s
writing updated coord AND xtbopt.xyz during external driver optimization (including nicer printout) CI #1291: Pull request #828 synchronize by marcelmbn
August 17, 2023 15:19 13m 0s marcelmbn:main
marcelmbn:main
August 17, 2023 15:19 13m 0s
outer region saturation (#848) CI #1290: Commit 3f25dfd pushed by Albkat
August 16, 2023 16:25 15m 9s main
main
August 16, 2023 16:25 15m 9s
outer region saturation CI #1289: Pull request #848 opened by Albkat
August 16, 2023 12:21 13m 50s Albkat:outer_region_saturation
Albkat:outer_region_saturation
August 16, 2023 12:21 13m 50s
writing updated coord AND xtbopt.xyz during external driver optimization (including nicer printout) CI #1288: Pull request #828 synchronize by marcelmbn
August 16, 2023 08:55 16m 6s marcelmbn:main
marcelmbn:main
August 16, 2023 08:55 16m 6s