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8f8dff758e
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reformat
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2021-07-10 14:39:25 -04:00 |
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4456e8151f
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use explicit scoping in destructor of polymorph class
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2021-07-10 10:54:02 -04:00 |
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89d7e34540
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destructor in polymorph base class should be virtual
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2021-07-10 10:53:36 -04:00 |
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e8aa3823d3
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Add virtual keyword to AtomKokkos destructor
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2021-07-09 15:48:44 -06:00 |
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2e0ed643e4
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update and reformat
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2021-07-09 16:54:18 -04:00 |
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6571a84884
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move some styles around
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2021-07-09 16:54:00 -04:00 |
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0eaacea67d
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Whitespace
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2021-07-09 14:17:06 -06:00 |
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be3c0ce5a0
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Fix typo
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2021-07-09 14:13:54 -06:00 |
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6c088b97ac
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Add missing data transfer for map_array
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2021-07-09 14:08:32 -06:00 |
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33ac10df7a
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Missed one instance of SUCCESS
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2021-07-09 14:00:19 -06:00 |
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8730fc3c6a
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Merge branch 'master' of https://github.com/lammps/lammps into kk_hash
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2021-07-09 11:41:08 -06:00 |
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b2a396da3c
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Merge pull request #2828 from tomswinburne/snap-scale
Adding scale parameter to pair/snap for fix/adapt
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2021-07-07 16:10:11 -04:00 |
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46d5d9724a
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move interlayer potentials to their own package
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2021-07-07 15:52:53 -04:00 |
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39bd342913
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Resolved conflict
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2021-07-07 10:04:05 +01:00 |
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d190ef09c2
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Initialised id5p atom quantity
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2021-07-07 09:58:53 +01:00 |
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c9ddee5e38
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Merge pull request #2824 from ndtrung81/dielectric-updates
Updates to the DIELECTRIC package
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2021-07-06 20:58:23 -04:00 |
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18f5ef1a76
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Merge pull request #2826 from akohlmey/collected-small-changes
Collected small changes
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2021-07-06 19:35:17 -04:00 |
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5f7766a71c
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Merge pull request #2823 from Ruyk/master
use SYCL team_reduce to mimic cuda __syncthreads_count
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2021-07-06 16:38:18 -04:00 |
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908587be56
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Merge branch 'master' of github.com:lammps/lammps into kk_hash
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2021-07-06 13:54:47 -06:00 |
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4f6e28a0d8
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Refactor use of Kokkos::UnorderedMap to fix Cuda issue
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2021-07-06 13:49:12 -06:00 |
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d041e5cba0
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we require at least zstd API version 1.4
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2021-07-06 13:39:07 -04:00 |
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c805040e14
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two more uses of temporary variable
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2021-07-06 13:10:40 -04:00 |
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0614cb16bb
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add missing dependency
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2021-07-06 13:07:08 -04:00 |
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71f82e81d7
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Merge branch 'snap-scale' into fm
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2021-07-06 17:23:24 +02:00 |
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3675bef2b0
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doc
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2021-07-06 14:06:27 +02:00 |
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2c0b87573f
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remove whitespace
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2021-07-06 10:34:59 +02:00 |
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edf623bc82
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remove whitespace
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2021-07-06 10:33:46 +02:00 |
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ee751cf040
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remove whitespace
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2021-07-06 10:33:28 +02:00 |
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65e2d8fd5e
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Added data_bonds_post2() method for testing purposes
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2021-07-05 17:29:11 +01:00 |
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4b81802ae8
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Created new feature branch for PR as per request
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2021-07-05 16:07:40 +01:00 |
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455b7b9392
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remove single precision floating point math and reformat
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2021-07-04 18:24:46 -04:00 |
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a61e79ad72
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avoid integer overflow issues reported by CodeQL
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2021-07-03 17:38:48 -04:00 |
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d471f13d27
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non-portable OpenMP pragmas
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2021-07-03 15:55:01 -04:00 |
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9996d7eaad
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NULL -> nullptr, and coding style updates
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2021-07-03 15:50:09 -04:00 |
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de3ac9d440
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update for package rename in upstream
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2021-07-03 15:38:24 -04:00 |
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430e7e962f
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Merge branch 'master' into dielectric-updates
# Conflicts:
# src/DIELECTRIC/Install.sh
# src/DIELECTRIC/pppm_disp_dielectric.cpp
# src/DIELECTRIC/pppm_disp_dielectric.h
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2021-07-03 15:27:57 -04:00 |
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4c22f094de
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Minor tweak
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2021-07-02 18:15:55 -06:00 |
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e17ace385d
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First pass at distributed memory for grid
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2021-07-02 17:47:45 -06:00 |
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3b480397d1
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Merge pull request #2822 from akohlmey/next_patch_release
Step version strings for next patch release
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2021-07-02 17:08:28 -04:00 |
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ce9351d7e7
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add package update processing for cythonize
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2021-07-02 15:55:17 -04:00 |
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b075d18b38
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ML-IAP Python interface depends on PYTHON package
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2021-07-02 15:24:32 -04:00 |
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5408210623
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reformat
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2021-07-02 14:34:23 -04:00 |
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dbeaec4957
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reformat
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2021-07-02 14:17:00 -04:00 |
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2a21c4b29f
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add sticker-bond support to fix bond/swap
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2021-07-02 11:46:25 -06:00 |
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34fa0da60e
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Merge branch 'master' into package-reorganization-step1
# Conflicts:
# doc/src/Packages_details.rst
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2021-07-02 13:24:49 -04:00 |
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411d1f1240
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move fix imd from USER-MISC to MISC
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2021-07-02 13:19:47 -04:00 |
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bc715ac7e8
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Merge upstream master into dielectric-updates
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2021-07-02 12:14:06 -05:00 |
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e2a78cbed6
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SYCL team_reduce to mimic cuda __syncthreads_count
This fixes a suspected out of bounds error later on in the kernel.
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2021-07-02 15:41:32 +01:00 |
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bf5934e581
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Merge pull request #2795 from jtclemm/fabric
Add fabric tensor compute
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2021-07-01 21:59:48 -04:00 |
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f4d4da32a7
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Merge pull request #2470 from lammps/kk_finalize
Fix issue with Kokkos::finalize and library interface
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2021-07-01 21:11:49 -04:00 |
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