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7fdfa3d3dd
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Merge branch 'alphataubio-kokkos-fixes' of github.com:alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-11-12 08:10:00 -08:00 |
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3acb0243a7
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Merge branch 'lammps:develop' into develop
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2024-11-12 11:08:21 -05:00 |
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cb5bad7ece
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Dropping obsolete keyword
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2024-11-11 21:22:48 -07:00 |
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ecfda6042d
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correct error message
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2024-11-11 18:52:56 -05:00 |
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33128323d8
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Adding shift example to rheo doc, clarifying speed of sound exception
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2024-11-11 16:31:09 -07:00 |
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9e0047ff06
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Documenting new multi-type shifting options
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2024-11-11 15:50:01 -07:00 |
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8521ff0587
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Simplifying logic for shifting two types
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2024-11-11 15:20:54 -07:00 |
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8809ed067f
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oops
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2024-11-11 15:11:02 -05:00 |
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1b2781db9b
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add syncs
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2024-11-11 14:57:45 -05:00 |
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0e90de7d95
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Updaing rheo citeme
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2024-11-11 11:52:21 -07:00 |
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15767903b2
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testing new argument description for fix rheo
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2024-11-11 11:51:59 -07:00 |
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59af94b8e3
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Updating rheo citation information
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2024-11-11 11:42:50 -07:00 |
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c0edafc0cf
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Reorganizing optional subargs for fix rheo
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2024-11-11 11:31:16 -07:00 |
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bd9bcb3bf7
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adding missing rheo coordination flag
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2024-11-10 14:27:22 -07:00 |
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009a976ae2
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Adding multitype correction to rheo vshfit
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2024-11-09 21:47:38 -07:00 |
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a1a2a54f72
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update linalg for ML-QUIP
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2024-11-09 04:14:11 -05:00 |
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324e795237
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do not free a NULL communicator
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2024-11-08 20:59:41 -05:00 |
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fb758d951f
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synchronize neb/spin with bugfixes for neb
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2024-11-08 20:59:24 -05:00 |
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a8eb5fab14
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Merge branch 'alphataubio-kokkos-fixes' of github.com:alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-11-08 15:04:50 -08:00 |
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ab9a870065
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-11-08 18:03:28 -05:00 |
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aeca973f84
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Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-11-08 18:01:54 -05:00 |
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b830f7806e
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Update fix_colvars_kokkos.cpp
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2024-11-08 18:01:50 -05:00 |
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f84b9f350e
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Merge branch 'develop' of https://github.com/lammps/lammps into alphataubio-kokkos-fixes
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2024-11-08 14:53:37 -08:00 |
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339c9654de
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Update GNU Make for new file
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2024-11-08 14:42:59 -08:00 |
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0ad6babead
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Fix another (already existing) bug when a proc has no atoms
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2024-11-08 08:42:47 -08:00 |
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a445545ffb
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Merge pull request #4371 from evoyiatzis/patch-2
fix typo in compute_temp_partial.rst
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2024-11-08 09:30:26 -07:00 |
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8f9e14c14f
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Merge branch 'develop' into gpu-threebody-neigh-no
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2024-11-08 09:22:46 -06:00 |
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9d80d963ed
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Merge pull request #4370 from jtclemm/small-patches
Fixing potential segfaults in granular/nstencil classes and other minor clean ups
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2024-11-08 06:05:49 -05:00 |
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e84c45c6e7
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Fix whitespace
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2024-11-08 10:38:49 +00:00 |
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95899b53b8
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Add fix qtpie/reaxff to pair_style reaxff docs
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2024-11-08 10:26:47 +00:00 |
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1c48d201b4
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Remove unused pack_flag = 5 options
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2024-11-08 10:07:16 +00:00 |
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45ea55c06a
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Removing debug statements
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2024-11-07 14:28:57 -07:00 |
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6765c3b126
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Relaxing errors in bond bpm, reusing update special for hybrid
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2024-11-07 14:27:44 -07:00 |
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b74096b2c4
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Fix bug when a proc has no atoms/neighbors (existing issue)
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2024-11-07 09:35:49 -08:00 |
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572be91b76
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fix typo in compute_temp_partial.rst
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2024-11-06 11:27:45 +01:00 |
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a93a930f2f
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Updating developer comm doc page to include bond and optional args
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2024-11-05 15:53:48 -07:00 |
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95509c4ef0
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Referencing other methods compatible with BPM package
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2024-11-05 15:47:59 -07:00 |
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a832a4a1c9
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fixed a bug with three_ilist when used with pair hybrid
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2024-11-05 16:38:06 -06:00 |
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755e71e5a2
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Missing space between words
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2024-11-04 16:09:10 -07:00 |
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34113226ae
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Updating pair tracker example
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2024-11-04 13:57:54 -07:00 |
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5ce635757f
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Simplifying smoothing for bpm/rotational bond style
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2024-11-04 13:42:09 -07:00 |
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778693c300
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Minor clean ups to BPM bonds
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2024-11-04 13:31:51 -07:00 |
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645d02d13b
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sph typo
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2024-11-04 13:30:37 -07:00 |
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3b3d39a8cd
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Minor granular include clean up
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2024-11-04 13:29:32 -07:00 |
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3e531b9842
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Adding clarifying comment
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2024-11-04 13:24:27 -07:00 |
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bf888045d6
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Fixing memory seg fault w/ multi occasional nlist
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2024-11-04 13:16:07 -07:00 |
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d2f761f8ed
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Avoiding potential segfault with granular rolling model
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2024-11-04 12:42:04 -07:00 |
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10767b1247
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Merge branch 'develop' into small-patches
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2024-11-04 12:37:57 -07:00 |
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953762458c
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EMPTY_MASK
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2024-11-02 16:36:50 -04:00 |
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1f1491a71c
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Update fix_colvars_kokkos.cpp
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2024-11-02 14:52:01 -04:00 |
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