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2fa99703bf
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Fix issues in Kokkos Tersoff and SW pair styles
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2022-04-12 15:49:28 -06:00 |
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12d7ef541b
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Need both versions of join
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2022-04-11 15:13:44 -06:00 |
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804c43b33c
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Merge branch 'develop' of github.com:lammps/lammps into fix_volatile
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2022-04-11 15:11:37 -06:00 |
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caa977e869
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Remove redundant calls
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2022-04-08 13:28:14 -06:00 |
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f8ec0365c6
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Fix a few more issues
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2022-04-08 12:52:26 -06:00 |
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d99b1258e3
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remove volatile to fix build error from Kokkos commit (5574130fb333ac1745a52d4a6383ac95c64bdc0f)
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2022-04-08 11:13:31 -05:00 |
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40aa146624
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Prune unused code and fix virial issue
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2022-04-07 15:05:07 -06:00 |
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ddb6350fe8
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Remove unused var
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2022-04-07 10:53:38 -06:00 |
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2956aee8dc
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Small tweaks
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2022-04-07 10:45:50 -06:00 |
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4f67f586d0
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Fix memory issue and leftover debugging
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2022-04-07 10:02:58 -06:00 |
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4ad8af629d
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whitespace
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2022-04-05 21:53:29 -04:00 |
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607ecf595b
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Add ScatterView
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2022-04-05 17:04:23 -06:00 |
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8744627059
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Tiny tweaks
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2022-04-05 16:04:43 -06:00 |
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efa7116b58
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Merge branch 'develop' of https://github.com/lammps/lammps into pair-dpd
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2022-04-05 15:48:36 -06:00 |
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22392d226a
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silence compiler warnings
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2022-04-04 21:11:09 -04:00 |
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3eb7194619
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Merge branch 'develop' into acks2_bug
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2022-04-04 15:39:44 -04:00 |
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3e01bc48d4
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Need s ghosts
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2022-04-04 13:05:10 -06:00 |
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f42635a40d
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Should be nall not nghost
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2022-04-04 12:08:38 -06:00 |
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b4fc86e467
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Fix issues in ReaxFF QEq and ACKS2
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2022-04-04 10:24:54 -06:00 |
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3ed011dcfb
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whitespace
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2022-04-03 10:55:56 -04:00 |
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028beb8da4
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Merge branch 'develop' into misc
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2022-04-03 10:55:24 -04:00 |
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2f895d63a6
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Add missing variable assignment
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2022-04-01 12:32:24 -06:00 |
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68f27bb4cd
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addressing comments from Evan's review
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2022-04-01 17:02:57 +02:00 |
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9c0934e82c
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Have ext-tstat working
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2022-04-01 10:37:53 +02:00 |
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c470c204d4
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remved unused var
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2022-04-01 10:35:05 +02:00 |
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335b78b4f2
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Add contributing author to list
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2022-03-31 15:27:05 -06:00 |
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4dc4d74056
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Add back in accidentally deleted call
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2022-03-31 13:10:22 -06:00 |
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ad4701f4f7
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Small tweaks
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2022-03-31 12:52:36 -06:00 |
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72874376f0
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Remove #ifdef
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2022-03-31 12:27:43 -06:00 |
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79fcf18013
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Remove #ifdef
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2022-03-31 12:25:58 -06:00 |
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df05bbb72b
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moved dpd_tstat to kokkos
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2022-03-31 17:20:56 +02:00 |
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14f54aae40
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Reax: Preprocessing optimizations to ComputeAngular,Torsion. Modularity boosts + memory reductions for BuildLists
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2022-03-30 08:23:41 -07:00 |
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5003c35963
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have first cut of just pair-dpd
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2022-03-30 16:22:26 +02:00 |
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69d32f286b
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Stan's patch
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2022-03-30 15:10:54 +02:00 |
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2517d1fb55
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Converted DPD-BASIC-EXT to use Kokkos
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2022-03-30 15:10:54 +02:00 |
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60e2b84e09
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Fuse loops
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2022-03-28 14:43:16 -06:00 |
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88c075ba90
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Tune for HIP
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2022-03-28 14:19:50 -06:00 |
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48332c3b18
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Rename variable
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2022-03-28 14:17:44 -06:00 |
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0c1516b34d
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Add another missing change
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2022-03-25 14:14:42 -07:00 |
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d648247b80
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whitespace
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2022-03-25 13:03:56 -07:00 |
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d131223161
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Restore changes lost in Git shuffle
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2022-03-25 12:59:45 -07:00 |
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a5e22c07c7
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Merge branch 'kk_npair_ghost_gpu' of github.com:stanmoore1/lammps into neigh_transpose
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2022-03-25 11:49:17 -07:00 |
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01abeda9ef
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Merge branch 'develop' of https://github.com/lammps/lammps into kk_npair_ghost_gpu
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2022-03-25 12:08:32 -06:00 |
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e2e046c452
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add missing host overload to make Clang happy
Change-Id: Ib0bd9dec3ecc6bf13b9894b07024172a9810cd77
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2022-03-25 12:05:25 -06:00 |
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17b35878ea
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Add version of Kokkos Ghost neigh list optimized for GPUs
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2022-03-25 12:03:20 -06:00 |
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c3f4dac7dc
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Small tweak to comments
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2022-03-25 09:45:05 -07:00 |
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6dae6198a2
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Add neigh transpose as Kokkos package option
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2022-03-25 09:17:39 -07:00 |
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2279b28df2
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Update from upstream
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2022-03-25 09:00:56 -07:00 |
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82c5c622b8
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fix temperature initialization bug in KOKKOS nose-hoover code
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2022-03-24 11:44:02 -04:00 |
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67329b6fff
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fix KOKKOS bug
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2022-03-23 14:40:17 -04:00 |
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