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Fix manual override of charge for pdb files. (#881) CI #1337: Commit d140d40 pushed by MtoLStoN
October 4, 2023 16:48 15m 51s main
main
October 4, 2023 16:48 15m 51s
Fix manual override of charge for pdb files. CI #1336: Pull request #881 synchronize by MtoLStoN
October 4, 2023 16:32 16m 11s MtoLStoN:gfnff_pdb
MtoLStoN:gfnff_pdb
October 4, 2023 16:32 16m 11s
Fix manual override of charge for pdb files. CI #1335: Pull request #881 synchronize by MtoLStoN
October 4, 2023 16:28 12m 22s MtoLStoN:gfnff_pdb
MtoLStoN:gfnff_pdb
October 4, 2023 16:28 12m 22s
Fix manual override of charge for pdb files. CI #1334: Pull request #881 opened by MtoLStoN
October 4, 2023 16:22 12m 47s MtoLStoN:gfnff_pdb
MtoLStoN:gfnff_pdb
October 4, 2023 16:22 12m 47s
Dimer Projection Method DIPRO for xtb CI #1333: Pull request #856 synchronize by MtoLStoN
October 4, 2023 11:48 13m 39s demonic-daisy:master
demonic-daisy:master
October 4, 2023 11:48 13m 39s
Dimer Projection Method DIPRO for xtb CI #1332: Pull request #856 synchronize by demonic-daisy
October 4, 2023 10:33 13m 47s demonic-daisy:master
demonic-daisy:master
October 4, 2023 10:33 13m 47s
Dimer Projection Method DIPRO for xtb CI #1331: Pull request #856 synchronize by demonic-daisy
October 4, 2023 10:32 6m 4s demonic-daisy:master
demonic-daisy:master
October 4, 2023 10:32 6m 4s
Dimer Projection Method DIPRO for xtb CI #1330: Pull request #856 synchronize by demonic-daisy
October 4, 2023 10:31 12m 7s demonic-daisy:master
demonic-daisy:master
October 4, 2023 10:31 12m 7s
Dimer Projection Method DIPRO for xtb CI #1329: Pull request #856 synchronize by demonic-daisy
October 4, 2023 10:28 13m 2s demonic-daisy:master
demonic-daisy:master
October 4, 2023 10:28 13m 2s
Dimer Projection Method DIPRO for xtb CI #1328: Pull request #856 synchronize by demonic-daisy
October 4, 2023 10:27 18m 6s demonic-daisy:master
demonic-daisy:master
October 4, 2023 10:27 18m 6s
Update URL to docs in README.md (#873) CI #1327: Commit b15c487 pushed by MtoLStoN
September 22, 2023 15:36 13m 57s main
main
September 22, 2023 15:36 13m 57s
Update URL to docs in README.md CI #1326: Pull request #873 opened by chem-william
September 22, 2023 08:30 5m 8s chem-william:main
chem-william:main
September 22, 2023 08:30 5m 8s
Introducing a scaling factor for directed docking (#868) CI #1325: Commit c31a1ca pushed by cplett
September 21, 2023 14:31 14m 51s main
main
September 21, 2023 14:31 14m 51s
Introducing a scaling factor for directed docking CI #1324: Pull request #868 synchronize by MtoLStoN
September 21, 2023 14:19 13m 28s cplett:directed_aISS
cplett:directed_aISS
September 21, 2023 14:19 13m 28s
Add "--tmcosmo" mode for writing .cosmo files with TM convention. (#864) CI #1323: Commit 9e67d6e pushed by MtoLStoN
September 20, 2023 13:55 13m 56s main
main
September 20, 2023 13:55 13m 56s
Add "--tmcosmo" mode for writing .cosmo files with TM convention. CI #1322: Pull request #864 synchronize by MtoLStoN
September 20, 2023 11:23 16m 33s MtoLStoN:tmcosmo
MtoLStoN:tmcosmo
September 20, 2023 11:23 16m 33s
Add "--tmcosmo" mode for writing .cosmo files with TM convention. CI #1321: Pull request #864 synchronize by Albkat
September 20, 2023 09:43 13m 31s MtoLStoN:tmcosmo
MtoLStoN:tmcosmo
September 20, 2023 09:43 13m 31s
Implement dipole moment in GFN-FF (#869) CI #1320: Commit 093096d pushed by Thomas3R
September 20, 2023 09:09 14m 7s main
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
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
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
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
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
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
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
MtoLStoN:tmcosmo
September 18, 2023 12:51 13m 59s