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Add note about singularities for polarTheta and polarPhi
Library #2242: Commit d521d39 pushed by giacomofiorin
October 24, 2024 15:32 1m 20s gromacs-2024
October 24, 2024 15:32 1m 20s
Backport fixes from GROMACS repo
Library #2241: Commit d603fa2 pushed by giacomofiorin
October 24, 2024 15:10 18m 24s gromacs-2024
October 24, 2024 15:10 18m 24s
Let GROMACS use the newer CMake when available
Library #2240: Commit fbcbd0d pushed by giacomofiorin
October 24, 2024 13:44 18m 11s torchann
October 24, 2024 13:44 18m 11s
October 23, 2024 15:36 4m 46s
Fix copy-and-paste typo in doc
Library #2237: Commit f71c886 pushed by giacomofiorin
October 22, 2024 21:34 18m 52s namd-3.0
October 22, 2024 21:34 18m 52s
Fix copy-and-paste typo in doc
Library #2236: Commit 2c6c712 pushed by giacomofiorin
October 22, 2024 21:34 6m 55s master
October 22, 2024 21:34 6m 55s
Load internal maps in VMD from Colvars
Library #2235: Commit a5e9851 pushed by giacomofiorin
October 22, 2024 20:49 13m 56s internalize-gridforces
October 22, 2024 20:49 13m 56s
Use smart pointers to manage metadynamics grid data
Library #2234: Commit c80f1db pushed by giacomofiorin
October 22, 2024 16:18 8m 47s custom-grids-for-all
October 22, 2024 16:18 8m 47s
Enable and test mwABF in GROMACS
Library #2233: Commit 1df0420 pushed by jhenin
October 22, 2024 16:13 7m 48s gmx_mwabf
October 22, 2024 16:13 7m 48s
Add missing change to Colvars/spiff
Library #2232: Commit 62177ac pushed by giacomofiorin
October 22, 2024 16:08 6m 34s master
October 22, 2024 16:08 6m 34s
Document need to define GH_TOKEN for cli tool
Library #2231: Commit e68e1ca pushed by giacomofiorin
October 22, 2024 16:07 6m 59s master
October 22, 2024 16:07 6m 59s
Document need to define GH_TOKEN for cli tool
Library #2230: Commit 05b7cd5 pushed by giacomofiorin
October 22, 2024 16:06 6m 17s add-newest-cmake
October 22, 2024 16:06 6m 17s
Use Colvars spiff repo
Library #2229: Commit 2e1b83c pushed by jhenin
October 22, 2024 15:53 4m 39s add-newest-cmake
October 22, 2024 15:53 4m 39s
Library
Library #2228: by giacomofiorin
October 22, 2024 15:21 5m 45s add-newest-cmake
October 22, 2024 15:21 5m 45s
Let GROMACS use the newer CMake when available
Library #2227: Commit 437e592 pushed by giacomofiorin
October 22, 2024 15:11 7m 14s add-newest-cmake
October 22, 2024 15:11 7m 14s
Enable and test mwABF in GROMACS
Library #2226: Commit c5b951c pushed by jhenin
October 21, 2024 16:15 6m 57s gmx_mwabf
October 21, 2024 16:15 6m 57s
Add interface test for gromacs 2024 with no config
Library #2225: Commit 492919a pushed by jhenin
October 21, 2024 15:07 7m 46s gmx_no_cv_config_test
October 21, 2024 15:07 7m 46s
Do not duplicate libTorch C++ flags
Library #2224: Commit 3c08493 pushed by giacomofiorin
October 19, 2024 19:07 17m 23s torchann
October 19, 2024 19:07 17m 23s
Use smart pointers to manage metadynamics grid data
Library #2222: Commit 830be00 pushed by giacomofiorin
October 18, 2024 16:20 7m 37s custom-grids-for-all
October 18, 2024 16:20 7m 37s
Update README to mention library tests vs. engine tests; document lim…
Library #2221: Commit 31d6256 pushed by jhenin
October 18, 2024 14:59 9m 29s abf_grid
October 18, 2024 14:59 9m 29s
Doc improvements for NAMD/lambda-dyn
Library #2220: Commit 0790933 pushed by jhenin
October 18, 2024 14:55 15m 36s lambdadyn_namd
October 18, 2024 14:55 15m 36s
Remove unneeded virtual qualifier
Library #2219: Commit 9d1434f pushed by giacomofiorin
October 18, 2024 00:24 17m 19s gromacs-2024
October 18, 2024 00:24 17m 19s
Remove unneeded virtual qualifier
Library #2218: Commit b5d8709 pushed by giacomofiorin
October 17, 2024 23:31 13m 47s master
October 17, 2024 23:31 13m 47s