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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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03487707ae
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atomics
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2024-11-02 14:24:36 -04:00 |
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ecebf18791
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wrap host functions with sync/modify for kokkos
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2024-11-02 13:39:23 -04:00 |
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7eccc56607
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auto variables for lambda capture
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2024-11-01 19:42:16 -04:00 |
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c1ac0cea1d
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More rheo pressure EOS, allow variable cs
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2024-11-01 17:04:32 -06:00 |
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f483a90d8a
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Simplifying RHEO compute comm calls
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2024-11-01 15:04:30 -06:00 |
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14041bb20c
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Missing argument
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2024-10-31 15:56:45 -06:00 |
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a15a315341
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Missing variable declaration
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2024-10-31 15:38:54 -06:00 |
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df882a9552
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Adding optional size arg for forward/reverse comm methods to Kokkos
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2024-10-31 15:27:22 -06:00 |
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8695351e24
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Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-10-30 21:59:05 -04:00 |
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22d08cbac0
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whitespace
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2024-10-30 21:58:50 -04:00 |
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c057b36c15
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-30 21:50:36 -04:00 |
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9aa9e7079a
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cleanup
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2024-10-30 21:44:27 -04:00 |
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84e234921b
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fix cuda warning
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2024-10-30 21:36:18 -04:00 |
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41672f6ac9
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this might work on cuda
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2024-10-30 20:44:25 -04:00 |
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5efd8ba11e
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run the Kokkos regression workflow after merge, not every push
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2024-10-30 11:27:15 -05:00 |
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50dd95e6e1
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move d_ubuf to kokkos_type.h
https://matsci.org/t/a-few-kokkos-development-questions/56598/8 (Q11)
"More correct would be to use a union with ubuf as is done in the atom_vec styles, so that no precision is lost for converting a huge 64-bit integer to a double."
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2024-10-30 11:32:24 -04:00 |
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3fd4f9b7f3
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Minor clean ups to BPM bonds
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2024-10-30 08:56:07 -06:00 |
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9e25c8610c
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Merge branch 'develop' into rheo
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2024-10-30 08:24:54 -06:00 |
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