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Implement dipole moment in GFN-FF (#869)
CI #1320: Commit 093096d pushed by Thomas3R
September 20, 2023 09:09 14m 7s main
September 20, 2023 09:09 14m 7s
Implement dipole moment in GFN-FF
CI #1319: Pull request #869 opened by Thomas3R
September 20, 2023 08:50 12m 48s Thomas3R:main
September 20, 2023 08:50 12m 48s
Introducing a scaling factor for directed docking
CI #1318: Pull request #868 opened by cplett
September 18, 2023 16:56 13m 28s cplett:directed_aISS
September 18, 2023 16:56 13m 28s
Dimer Projection Method DIPRO for xtb
CI #1317: Pull request #856 synchronize by MtoLStoN
September 18, 2023 16:10 13m 37s demonic-daisy:master
September 18, 2023 16:10 13m 37s
Add "--tmcosmo" mode for writing .cosmo files with TM convention.
CI #1316: Pull request #864 synchronize by MtoLStoN
September 18, 2023 15:04 17m 18s MtoLStoN:tmcosmo
September 18, 2023 15:04 17m 18s
Add "--tmcosmo" mode for writing .cosmo files with TM convention.
CI #1315: Pull request #864 synchronize by MtoLStoN
September 18, 2023 15:02 9m 24s MtoLStoN:tmcosmo
September 18, 2023 15:02 9m 24s
Add "--tmcosmo" mode for writing .cosmo files with TM convention.
CI #1314: Pull request #864 synchronize by MtoLStoN
September 18, 2023 12:56 13m 10s MtoLStoN:tmcosmo
September 18, 2023 12:56 13m 10s
Add "--tmcosmo" mode for writing .cosmo files with TM convention.
CI #1313: Pull request #864 synchronize by MtoLStoN
September 18, 2023 12:51 13m 59s MtoLStoN:tmcosmo
September 18, 2023 12:51 13m 59s
accuracy->set%acc (#866)
CI #1312: Commit a52f3d3 pushed by Albkat
September 17, 2023 19:46 16m 13s 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
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
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
September 13, 2023 10:17 15m 49s
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