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Fix ESP SegFaults with GCC
CI #1365: Pull request #728 synchronize by foxtran
December 4, 2023 13:24 8m 7s foxtran:fix/esp
December 4, 2023 13:24 8m 7s
ONIOM results (#917)
CI #1364: Commit ddc8329 pushed by Albkat
November 28, 2023 09:13 10m 10s main
November 28, 2023 09:13 10m 10s
refactor ORCA calculator (#916)
CI #1363: Commit 26a3403 pushed by marcelmbn
November 28, 2023 08:52 8m 39s main
November 28, 2023 08:52 8m 39s
ONIOM results
CI #1362: Pull request #917 opened by Albkat
November 27, 2023 16:02 8m 30s Albkat:ONIOM_res
November 27, 2023 16:02 8m 30s
refactor ORCA calculator
CI #1361: Pull request #916 synchronize by Albkat
November 27, 2023 13:10 8m 27s Albkat:EE
November 27, 2023 13:10 8m 27s
refactor ORCA calculator
CI #1360: Pull request #916 synchronize by Albkat
November 27, 2023 12:49 8m 39s Albkat:EE
November 27, 2023 12:49 8m 39s
refactor ORCA calculator
CI #1359: Pull request #916 opened by Albkat
November 25, 2023 17:36 8m 28s Albkat:EE
November 25, 2023 17:36 8m 28s
refactor CMake build (#900)
CI #1358: Commit fc056d1 pushed by Albkat
November 22, 2023 16:37 8m 42s main
November 22, 2023 16:37 8m 42s
resolve debug mode errors (#907)
CI #1357: Commit 9a76e94 pushed by Albkat
November 22, 2023 16:15 8m 48s main
November 22, 2023 16:15 8m 48s
Change pdb no H error to warning. (#910)
CI #1356: Commit d7cadbf pushed by MtoLStoN
November 22, 2023 16:11 3m 8s main
November 22, 2023 16:11 3m 8s
specify ifort location (#906)
CI #1355: Commit 2d57755 pushed by Albkat
November 22, 2023 16:09 5m 39s main
November 22, 2023 16:09 5m 39s
Change pdb no H error to warning.
CI #1354: Pull request #910 opened by MtoLStoN
November 22, 2023 15:58 9m 9s pdb_fix
November 22, 2023 15:58 9m 9s
Change pdb no H error to warning.
CI #1353: Commit 2b94481 pushed by MtoLStoN
November 22, 2023 15:58 8m 16s pdb_fix
November 22, 2023 15:58 8m 16s
resolve debug compilation errors
CI #1352: Pull request #907 opened by Albkat
November 21, 2023 14:31 7m 59s Albkat:small_fixes
November 21, 2023 14:31 7m 59s
specify ifort location
CI #1351: Pull request #906 opened by Albkat
November 20, 2023 10:02 7m 47s Albkat:meson_intel
November 20, 2023 10:02 7m 47s
refactor CMake build
CI #1350: Pull request #900 synchronize by Albkat
November 15, 2023 15:00 3m 26s Albkat:cmake
November 15, 2023 15:00 3m 26s
refactor CMake build
CI #1349: Pull request #900 synchronize by Albkat
November 13, 2023 07:18 8m 45s Albkat:cmake
November 13, 2023 07:18 8m 45s
refactor CMake build
CI #1348: Pull request #900 opened by Albkat
November 12, 2023 19:56 9m 34s Albkat:cmake
November 12, 2023 19:56 9m 34s
Add embd term to scc energy (#892)
CI #1347: Commit 98043ed pushed by awvwgk
October 31, 2023 11:57 16m 6s main
October 31, 2023 11:57 16m 6s
add embd term to scc energy
CI #1346: Pull request #892 opened by Albkat
October 30, 2023 17:21 13m 50s Albkat:embd
October 30, 2023 17:21 13m 50s
add embd to SCC energy
CI #1345: Pull request #891 opened by Albkat
October 30, 2023 17:10 16m 20s Albkat:embd
October 30, 2023 17:10 16m 20s
accuracy parameter in variable declaration missing (#882)
CI #1344: Commit 82e5569 pushed by marcelmbn
October 6, 2023 12:56 14m 47s main
October 6, 2023 12:56 14m 47s
accuracy parameter in variable declaration missing
CI #1343: Pull request #882 opened by marcelmbn
October 6, 2023 12:37 12m 54s marcelmbn:main
October 6, 2023 12:37 12m 54s
Dimer Projection Method DIPRO for xtb (#856)
CI #1342: Commit 0813880 pushed by MtoLStoN
October 5, 2023 13:03 14m 32s main
October 5, 2023 13:03 14m 32s
Dimer Projection Method DIPRO for xtb
CI #1341: Pull request #856 synchronize by MtoLStoN
October 5, 2023 12:32 16m 12s demonic-daisy:master
October 5, 2023 12:32 16m 12s
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