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Squashed commit of the following:
Library #1887: Commit 503cab3 pushed by jhenin
January 18, 2024 14:35 6m 4s new_abf_for_merging
January 18, 2024 14:35 6m 4s
Squashed commit of the following:
Library #1886: Commit de50d7b pushed by jhenin
January 18, 2024 14:30 58s new_abf_for_merging
January 18, 2024 14:30 58s
Squashed commit of the following:
Library #1885: Commit d768856 pushed by jhenin
January 18, 2024 14:20 6m 10s new_abf_for_merging
January 18, 2024 14:20 6m 10s
Merge branch 'master' into new_abf_for_merging
Library #1884: Commit 0573ac2 pushed by jhenin
January 17, 2024 15:11 11m 32s new_abf_for_merging
January 17, 2024 15:11 11m 32s
Remove exptl feature linABF for now
Library #1883: Commit 2b3f2a2 pushed by jhenin
January 17, 2024 15:04 12m 29s new_abf_for_merging
January 17, 2024 15:04 12m 29s
Use np.column_stack() for better portability
Library #1882: Commit c2bdeb9 pushed by giacomofiorin
January 16, 2024 21:00 5m 10s master
January 16, 2024 21:00 5m 10s
Use np.column_stack() for better portability
Library #1881: Commit 02ea482 pushed by giacomofiorin
January 16, 2024 17:21 4m 24s write_numpy_format
January 16, 2024 17:21 4m 24s
Allow NumPy-format output for plot_colvars_traj.py
Library #1880: Commit 5f3646c pushed by giacomofiorin
January 16, 2024 16:47 9m 48s write_numpy_format
January 16, 2024 16:47 9m 48s
Allow NumPy-format output for plot_colvars_traj.py
Library #1879: Commit 9b936d4 pushed by giacomofiorin
January 16, 2024 16:43 4m 13s write_numpy_format
January 16, 2024 16:43 4m 13s
Import latest changes from master branch
Library #1878: Commit 90b7343 pushed by giacomofiorin
January 11, 2024 22:20 4m 17s gromacs-2024
January 11, 2024 22:20 4m 17s
Upload fuller set of output files to artifacts
Library #1877: Commit f6b5266 pushed by giacomofiorin
January 11, 2024 21:47 4m 16s gromacs-2024
January 11, 2024 21:47 4m 16s
Backport several changes in GROMACS 2024
Library #1876: Commit f714a1a pushed by giacomofiorin
January 11, 2024 21:37 4m 30s gromacs-2024
January 11, 2024 21:37 4m 30s
No longer need to patch GROMACS CMake recipe for OpenMP
Library #1875: Commit 5bb5611 pushed by giacomofiorin
January 11, 2024 20:58 4m 27s gromacs-2024
January 11, 2024 20:58 4m 27s
No longer need to patch GROMACS CMake recipe for OpenMP
Library #1874: Commit cc70416 pushed by giacomofiorin
January 11, 2024 20:55 6m 7s gromacs-2024
January 11, 2024 20:55 6m 7s
Backport fix for MSVC issue from GROMACS 2024
Library #1873: Commit cac51a1 pushed by giacomofiorin
January 11, 2024 20:44 4m 33s gromacs-2024
January 11, 2024 20:44 4m 33s
Backport fix for MSVC issue from GROMACS 2024
Library #1872: Commit e9daedb pushed by giacomofiorin
January 11, 2024 20:44 4m 36s master
January 11, 2024 20:44 4m 36s
Use signed integer to appease Visual Studio with OpenMP
Library #1871: Commit 07c0895 pushed by giacomofiorin
January 10, 2024 04:36 4m 36s master
January 10, 2024 04:36 4m 36s
Update links in copy of NAMD UG chapter
Library #1870: Commit 3267545 pushed by giacomofiorin
January 9, 2024 23:39 4m 47s master
January 9, 2024 23:39 4m 47s
Add GCC 13 (now available in CentOS 9) to CI tests
Library #1869: Commit 76a175a pushed by giacomofiorin
January 9, 2024 12:20 5m 11s master
January 9, 2024 12:20 5m 11s
Add GCC 13 (now available in CentOS 9) to CI tests
Library #1868: Commit 76a175a pushed by giacomofiorin
January 9, 2024 12:15 4m 54s gcc-13
January 9, 2024 12:15 4m 54s
Only test GROMACS 2024 in the release branch
Library #1867: Commit 308e88b pushed by giacomofiorin
January 5, 2024 22:04 12m 33s gromacs-2024
January 5, 2024 22:04 12m 33s
Reverting changes to CI workflow.
Library #1866: Commit e5d7dcc pushed by giacomofiorin
January 5, 2024 22:02 4m 14s master
January 5, 2024 22:02 4m 14s
Remove unused step
Library #1865: Commit 839a057 pushed by giacomofiorin
January 5, 2024 17:20 4m 28s master
January 5, 2024 17:20 4m 28s
Fix memory issues found by ASAN
Library #1864: Commit fc86e9a pushed by jhenin
January 5, 2024 17:13 4m 24s new_abf_for_merging
January 5, 2024 17:13 4m 24s
Fix alloc-dealloc mismatch found by ASAN
Library #1863: Commit 42e01ab pushed by jhenin
January 5, 2024 16:57 4m 32s new_abf_for_merging
January 5, 2024 16:57 4m 32s
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