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2f1f7ee0fa
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Cleaned up code
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2022-11-03 23:45:40 -05:00 |
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00f46120c7
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Removed max_cus() from Device, used device->gpu->cus() instead
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2022-10-07 15:50:30 -05:00 |
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6b9e83fe20
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Added timing for the induced dipole spreading part, computed the block size to ensure all the CUs are occupied by the fphi_uind and fphi_mpole kernels
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2022-10-06 15:03:58 -05:00 |
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009ed36301
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Updated src/GPU Install.sh to include amoeba_convolution_gpu.*
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2022-10-01 11:16:30 -05:00 |
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2ef6a59c0a
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Merge branch 'develop' into amoeba-gpu
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2022-10-01 00:38:24 -05:00 |
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9a1f23a079
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Cosmetic changes and cleanup
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2022-09-30 17:32:25 -05:00 |
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f136bcbef7
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Merge pull request #3465 from weinbe2/feature/snap-packed-idx
Packed Clebsch-Gordon look-up tables for SNAP/Kokkos
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2022-09-30 17:35:10 -04:00 |
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1d75ca3b20
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Moved precompute() out of the terms in amoeba and hippo, to be involed in the first term in a time step: multipole for amoeba and repulsion for hippo
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2022-09-30 16:31:13 -05:00 |
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a9701f54cb
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HIP tuning
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2022-09-30 14:53:37 -04:00 |
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6669b493a4
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Merge branch 'develop' of https://github.com/lammps/lammps into feature/snap-packed-idx
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2022-09-30 13:18:27 -04:00 |
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afc35aa7b0
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Merge pull request #3462 from akohlmey/pdlammps-howto
Add peridynamics howto document
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2022-09-29 14:33:46 -04:00 |
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09948f11be
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make equation references explicit since .. math:: + 🏷️ does not work with latex
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2022-09-29 13:54:09 -04:00 |
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6962b43e70
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Pack idxcg_block in with idxz
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2022-09-29 09:56:20 -07:00 |
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60f73b33bf
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Merge branch 'develop' into feature/snap-packed-idx
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2022-09-29 09:50:33 -07:00 |
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c6eb6d858b
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implement numbered equations and equation references
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2022-09-29 12:04:43 -04:00 |
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96c0d39be2
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Merge branch 'develop' into pdlammps-howto
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2022-09-29 10:42:34 -04:00 |
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f78c350fa8
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Merge pull request #3459 from akohlmey/collected-small-changes
Collected small changes and updates
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2022-09-29 10:39:17 -04:00 |
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c068c226cc
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consolidate fortran test keeper modules into a single module
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2022-09-29 09:47:40 -04:00 |
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494821725e
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Merge pull request #3463 from wmbrownIntel/gpu_timer_hostview_fix
GPU Package - OpenCL Timer Fix and Unnecessary Device Allocation Fix
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2022-09-29 08:56:48 -04:00 |
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8e073c3335
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reference the Howto from the rest of the manual. Spelling fixes.
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2022-09-29 07:43:01 -04:00 |
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777a074744
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Convert PDLAMMPS user doc from latex to sphinx
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2022-09-29 06:57:52 -04:00 |
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fb675028b9
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whitespace
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2022-09-29 02:42:11 -04:00 |
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71464d8314
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GPU Package: Fixing logic in OpenCL backend that could result in unnecessary device allocations.
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2022-09-28 22:30:09 -07:00 |
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6e34d21b24
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GPU Package: Switching back to timer disabling with multiple MPI tasks per GPU. Logic added to prevent mem leak.
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2022-09-28 21:02:16 -07:00 |
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e6d2582642
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Updated fphi_mpole, renamed precompute_induce to precompute_kspace
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2022-09-28 15:08:18 -05:00 |
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77fb3e8af8
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improve error messages
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2022-09-27 20:55:55 -04:00 |
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90384371c0
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this is redundant, since we set one_coeff and thus * * is required
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2022-09-27 20:55:45 -04:00 |
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7fe9d087db
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move reusable fortran modules to keep data to a separate file
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2022-09-27 14:01:01 -04:00 |
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256f385be4
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avoid race condition
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2022-09-27 13:20:39 -04:00 |
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36d22b9d00
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silence compiler warnings
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2022-09-27 13:20:25 -04:00 |
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3e9dca3017
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Implement alternate and recommended way to set properties of abstract base class
See: https://github.com/lammps/lammps/security/code-scanning/476
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2022-09-26 21:01:22 -04:00 |
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7238a29cb7
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improve version tag regexp to match cases with leading blanks
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2022-09-26 20:39:46 -04:00 |
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0fe739eb35
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Merge branch 'develop' into collected-small-changes
# Conflicts:
# doc/utils/sphinx-config/false_positives.txt
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2022-09-26 20:34:37 -04:00 |
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be98b5a168
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Merge pull request #3458 from Boogie3D/mliappy_unified
MLIAP Unified Interface
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2022-09-26 20:33:17 -04:00 |
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1dc3c8fc26
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remove hippynn examples
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2022-09-26 19:56:00 -04:00 |
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10068a0fde
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Merge pull request #3461 from julient31/llg-correction
Correction of some LL features in the SPIN package
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2022-09-26 14:56:36 -04:00 |
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1eb3d50c22
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simplify/modernize
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2022-09-26 13:38:35 -04:00 |
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5ea37448b6
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whitespace
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2022-09-26 13:12:04 -04:00 |
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a4796dd872
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Merge pull request #3396 from hammondkd/fortran-tinkering
Expanding the Fortran interface
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2022-09-26 13:02:30 -04:00 |
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a4e92ed4a9
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update broken URLs
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2022-09-26 12:09:45 -04:00 |
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543e7b8b56
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format DOI tags consistently
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2022-09-26 11:41:22 -04:00 |
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6262f3c537
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improve error message
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2022-09-26 10:23:15 -04:00 |
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30ddb2d4b4
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Merge branch 'clean-master2' of github.com:julient31/lammps into llg-correction
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2022-09-26 07:53:09 +02:00 |
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e24b4bec01
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Adding a new test problem for large damping in the LL equation.
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2022-09-26 07:49:51 +02:00 |
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ac6cb062e6
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Completing the correction in fix langevin/spin.
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2022-09-26 07:44:32 +02:00 |
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90f26f05fc
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Correcting some aspects of the SPIN package documentation.
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2022-09-26 07:43:19 +02:00 |
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e38d7cf192
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update explanations for version updates in security policy file
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2022-09-25 10:43:59 -04:00 |
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af3da50bda
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add some more versionadded tags, now mostly complete for 2022
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2022-09-25 09:41:55 -04:00 |
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971f5672c9
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add missing sllod initialization fixes
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2022-09-25 07:11:25 -04:00 |
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67a210e6d8
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no need to include pair.h
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2022-09-25 06:41:51 -04:00 |
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