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f197ce3165
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expose new introspection to library interfaces for consistency
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2024-08-07 10:37:20 -04:00 |
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e5957ccc19
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recreate example logs with new colvars version
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2024-08-05 22:12:30 -04:00 |
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cb00839357
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Merge branch 'develop' into plumed-plugin
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2024-07-30 20:30:21 -04:00 |
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6eb3679468
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add commented out commands for visualization with LAMMPS-GUI
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2024-07-29 19:59:22 -04:00 |
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2a99b9957d
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simplify and shorten charmmfsw example. add reference logs.
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2024-07-26 19:34:23 -04:00 |
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590c7dcf8f
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Merge branch 'lammps:develop' into spica-kk
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2024-07-25 13:54:44 -04:00 |
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47c6f1633c
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Reverted the changes to examples/melt/in.melt, no need to add #REG
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2024-07-21 10:34:23 -05:00 |
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3ddb202853
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Removed the unnecessary thermo yaml file under examples/melt
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2024-07-21 10:32:44 -05:00 |
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051ed89851
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Reverted the unintentional changes to examples/bpm/impact/brokenDump
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2024-07-21 08:58:34 -05:00 |
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9676b0cb06
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Merge branch 'upstream' into regression-tests
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2024-07-20 16:46:49 -05:00 |
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3017630c01
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2024-07-18 18:40:22 -04:00 |
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1ed6e153b6
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Merge pull request #4214 from jtclemm/rheo
New multiphase fluids package
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2024-07-18 18:38:51 -04:00 |
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3b853adaac
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add lammps_extract_pair_dimension and lammps_extract_pair to library interface
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2024-07-16 01:38:21 -04:00 |
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a9a896c677
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Small doc changes, renaming status variable
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2024-07-15 17:19:51 -06:00 |
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17b2282a1e
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Merge branch 'upstream' into regression-tests
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2024-07-09 08:24:46 -05:00 |
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b1a4f08dd2
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Update in.charmmfsw
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2024-07-07 16:56:00 -04:00 |
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06e8f8eab2
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cleanup
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2024-07-07 15:57:37 -04:00 |
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9c37e0f0df
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add charmmfsw example for kokkos gpu testing
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2024-07-07 15:32:12 -04:00 |
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62ac8d0ab3
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fixes
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2024-07-07 02:59:43 -04:00 |
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17d736c0f9
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Merge branch 'develop' into electrode
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2024-07-03 15:17:43 -04:00 |
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66552d80da
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Merge branch 'develop' into rheo
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2024-07-03 03:42:44 -04:00 |
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2b84cd0524
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Add files via upload
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2024-07-02 14:47:48 -07:00 |
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44ff2698c5
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Delete examples/log.ctip
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2024-07-02 14:47:12 -07:00 |
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b6a007b769
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Delete examples/in.ctip
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2024-07-02 14:47:01 -07:00 |
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a170ecc202
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Delete examples/data.ctip
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2024-07-02 14:46:49 -07:00 |
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567d492121
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Delete examples/NiO.eam.fs
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2024-07-02 14:46:35 -07:00 |
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ba675c0806
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Delete examples/NiO.ctip
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2024-07-02 14:46:20 -07:00 |
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b98b82fb09
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Create in.ctip
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2024-07-02 14:45:34 -07:00 |
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6dd47fbbb0
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Add files via upload
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2024-07-02 14:40:26 -07:00 |
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49c84dbe1e
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Bugfix virial with fix electrode
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2024-07-01 10:05:28 +02:00 |
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1326592f23
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Proofing RHEO package
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2024-06-28 17:07:23 -06:00 |
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185141bd7d
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use faster compression
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2024-06-27 23:24:20 -04:00 |
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2ad8119282
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do not try to install plumed patches
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2024-06-27 21:24:12 -04:00 |
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1f7fb7b6f5
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correct path (again)
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2024-06-27 20:57:35 -04:00 |
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e75e63c218
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also package the plumed.exe executable with the plugin
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2024-06-27 20:08:15 -04:00 |
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5014e408c0
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use correct path to (downloaded) plumed source tree
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2024-06-27 20:07:52 -04:00 |
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0e706d4dcc
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add support for building the PLUMED package as plugin
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2024-06-27 18:14:56 -04:00 |
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4bb71195aa
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Allow NULL for eta in fix electrode
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2024-06-26 12:08:45 +02:00 |
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6ef8472481
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Merge commit 'refs/pull/4168/head' of github.com:lammps/lammps into kokkospod
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2024-06-24 23:52:39 -04:00 |
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e195f1759f
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Remove unused parameters, change command name, and update documentation and examples..
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2024-06-24 22:32:35 -04:00 |
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bf4aab68d3
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update sdk -> spica
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2024-06-24 17:45:53 -04:00 |
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b219bb8de8
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Merge conflicts
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2024-06-24 14:09:33 -06:00 |
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01a85639f9
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Merge branch 'develop' into kokkospod
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2024-06-23 03:56:39 -04:00 |
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fc539b46ea
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change all function ptrs and 2 example dump files
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2024-06-21 09:23:04 -06:00 |
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8ce284f125
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Merge pull request #4145 from jrgissing/improve_type_label_support
Improve type label support
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2024-06-20 16:30:22 -04:00 |
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734fdf4a46
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rename CG-DNA potential files
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2024-06-20 14:33:26 -04:00 |
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2dc7de417a
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Merge branch 'develop' into improve_type_label_support
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2024-06-20 08:56:02 -04:00 |
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9c8c04a7b4
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Merge branch 'develop' into cg-dna
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2024-06-20 02:44:29 -04:00 |
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629a9cbe3d
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Merge pull request #4188 from Eddy-Barraud/dpd_charged
add pair styles dpd/coul/slater/long and dpd/coul/slater/long/gpu
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2024-06-19 13:50:46 -04:00 |
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4e0bf6137d
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Merge pull request #4110 from uf3/ml-uf3
Implementation of pair_style uf3 and uf3/kk
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2024-06-19 11:43:32 -04:00 |
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