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e9073e4e1d
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Missed changes
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2024-11-26 16:19:19 -07:00 |
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09cd209c62
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typo
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2024-11-26 15:56:03 -07:00 |
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8aba26bd71
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doc fixes
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2024-11-26 15:55:08 -07:00 |
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6b4f82dc31
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Resetting variables in deform/pressure init
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2024-11-26 13:04:26 -07:00 |
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a420d04418
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Unifying desc/code for tsuji and coeff restitution
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2024-11-26 11:28:40 -07:00 |
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461dd67bb4
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Clarifying Tsuji damping doc, removing overloaded variable
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2024-11-26 10:37:13 -07:00 |
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1beb4b17ec
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Clarifying doc on arguments for coeff rest damping
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2024-11-26 10:15:26 -07:00 |
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c87e0735a9
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Merge branch 'develop' into feature/snap-unify-codepaths
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2024-11-25 09:27:38 -08:00 |
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3f78ee72c6
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get access to the applied external force from the fix
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2024-11-24 22:25:38 -05:00 |
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471fdf27cd
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Typo in bond failure subscripts
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2024-11-22 14:59:51 -07:00 |
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e4683c3134
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typo in equation
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2024-11-22 14:40:45 -07:00 |
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10c429fe21
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Separating background pressure from EoS definition
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2024-11-22 14:37:47 -07:00 |
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e7c995abcb
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Re-disabled SNAP Kokkos CPU path =(
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2024-11-22 11:28:25 -08:00 |
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ce6e0dbe68
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Added templating over chemsnap for evaluate_beta_scaled
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2024-11-21 14:33:30 -08:00 |
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261abaa683
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Added templating over chemsnap for ComputeYi and ComputeYiWithZlist
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2024-11-21 14:17:40 -08:00 |
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28e64fca94
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Added templating over chemsnap for ComputeZi and ComputeBi
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2024-11-21 14:06:10 -08:00 |
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67470f236e
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Added a (default zero) extra launch bound arg to help with ComputeYi perf consistency
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2024-11-21 13:48:04 -08:00 |
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6c333837e0
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Merge branch 'develop' into collected-small-changes
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2024-11-21 02:57:08 -05:00 |
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43fbdc2d93
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Merge pull request #4388 from lichanghao/dump_image_bug_fix
Fixed a indexing bug in dump_image.cpp causing segmentation fault with body style particles
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2024-11-21 01:18:02 -05:00 |
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f3221ee2e1
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Abstracted computation portion of compute_bi into a separate evaluate_bi
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2024-11-20 11:10:13 -08:00 |
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dde2c91a27
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Refactored the beta calculation into separate linear and quadratic portions
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2024-11-20 11:03:37 -08:00 |
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78bd71760b
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Added a host vs device abstraction for SNAP kernel launches, greatly improves CPU launch perf
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2024-11-20 10:53:33 -08:00 |
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2d65365a67
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Added additional parallelism to TagPairSNAPBeta
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2024-11-20 10:42:43 -08:00 |
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e8e2a0b012
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Simplified the constuctor for SNAKokkos by passing PairSNAPKokkos in directly by reference
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2024-11-20 10:36:01 -08:00 |
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5dcadf5748
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Created a simplifying abstraction to separately call host or device kernels where the code is identical
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2024-11-20 10:29:02 -08:00 |
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6e54d9326b
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Unify the CPU and GPU PreUi routines
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2024-11-20 10:20:42 -08:00 |
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98b67b8ea0
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Unify the CPU and GPU ComputeYi and ComputeZi routines; extend ComputeYiWithZlist to the CPU
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2024-11-20 10:13:11 -08:00 |
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8a65f44237
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Unify the CPU and GPU TransformUi routines
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2024-11-20 09:58:50 -08:00 |
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99c4d116b8
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Flatten compute_ui_cpu and compute_duidrj_cpu into single functions
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2024-11-20 09:48:20 -08:00 |
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457e4c094b
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No actual changes; this code just rearranges sna_kokkos_impl to make the subsequent CPU/GPU unifications easier to follow.
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2024-11-20 09:41:57 -08:00 |
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30349d2a48
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correct version header
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2024-11-20 11:50:13 -05:00 |
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7259082cbc
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flag development version
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2024-11-20 11:17:14 -05:00 |
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4296db4991
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add link with more explanation to the illegal variable errors
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2024-11-20 11:15:12 -05:00 |
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8ba0d7bece
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more updates to release process
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2024-11-20 10:21:00 -05:00 |
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53b2930ef4
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modified dump_image.cpp, line 1100, fixed an indexing bug causing rendering error
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2024-11-19 23:50:50 -05:00 |
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277fba1907
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Removed unnecessary team parallelism from CPU routines; rearranged pair_snap_kokkos_impl to make the subsequent CPU/GPU unifications easier to follow.
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2024-11-19 12:44:08 -08:00 |
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976167e2e5
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Greatly tightened up CPU ulist, dulist computation
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2024-11-19 12:30:58 -08:00 |
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cb548143ee
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Unified zlist and blist CPU and GPU structures; greatly simplified/fused compute_bi
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2024-11-19 12:14:32 -08:00 |
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cf6714ea33
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Unified ulisttot CPU and GPU structures
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2024-11-19 11:12:20 -08:00 |
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abbcd86174
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Unified ylist CPU and GPU structures
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2024-11-19 11:03:01 -08:00 |
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e6ed911be2
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Merge pull request #4387 from akohlmey/next_release
Step version strings for next release
patch_19Nov2024
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2024-11-19 14:02:02 -05:00 |
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3c4a42ba72
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Removed d_beta_pack; fully unified SNAPBeta and SNAPBetaCPU routines
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2024-11-19 10:54:59 -08:00 |
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2fc33f3fd4
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Removed AoSoA from [ylist_re/ylist_im/zlist/blist]
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2024-11-19 10:49:47 -08:00 |
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120c4600cf
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Removed AoSoA from ulisttot_[re_/im_/]_pack
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2024-11-19 10:44:30 -08:00 |
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e95d1dec3f
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Removed AoSoA from a/b/da/db/sfac pack
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2024-11-19 10:35:58 -08:00 |
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c9754e5fd3
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Added const to each of the snaKK routines; removed extra snaKK copies
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2024-11-19 10:24:27 -08:00 |
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e200d557ec
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replace static with const for compatibility with SYCL
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2024-11-19 13:16:22 -05:00 |
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58d70366c2
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Added padding to non-AoSoA data structures to improve alignment
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2024-11-19 10:12:47 -08:00 |
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ce92b565b2
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Made SNAP host_flag constexpr, took advantage of if constexpr to reduce compile time
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2024-11-19 10:00:56 -08:00 |
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a4d821197e
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Re-enable SNAP CPU codepaths to simplify verifying correctness
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2024-11-19 08:56:36 -08:00 |
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