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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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91790e8586
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Update Commands_kspace.rst
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2021-07-06 20:21:34 -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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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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f84ab6f26b
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clarify fix nve impact
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2021-07-04 19:21:09 -04:00 |
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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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4b42b51006
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fix broken links
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2021-07-03 16:23:55 -04:00 |
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b314c83266
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fix up mistyped package names
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2021-07-03 16:19:15 -04:00 |
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c61480eace
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fix indexing for pppm/disp/dielectric
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2021-07-03 16:12:52 -04:00 |
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da06535be5
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fix doc build warnings
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2021-07-03 16:06:43 -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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3b480397d1
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Merge pull request #2822 from akohlmey/next_patch_release
Step version strings for next patch release
patch_2Jul2021
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2021-07-02 17:08:28 -04:00 |
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c2a12f97c5
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Merge pull request #2818 from akohlmey/package-reorganization-step1
Package Reorganization (step 1)
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2021-07-02 16:16:19 -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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bee95e41ae
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Added references to example input scripts to the doc pages
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2021-07-02 14:06:06 -05:00 |
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48d3acb52b
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Updated the doc pages for the /dielectric styles
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2021-07-02 13:45:08 -05:00 |
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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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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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021e8a404d
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Updated example data files
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2021-07-02 12:20:26 -05:00 |
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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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c495fdfdf3
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step version strings for next patch release
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2021-07-01 20:17:07 -04:00 |
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76526ef2b7
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Merge pull request #2817 from julient31/exchange-biquadratic
Correcting a small bug in fix nve/spin
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2021-07-01 20:12:12 -04:00 |
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a370e9e329
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DPD basic styles have GPU package versions
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2021-07-01 00:58:10 -04:00 |
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58196d57f1
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New package DPD-BASIC with pair styles dpd, dpd/tstat, dpd/ext, dpd/ext/tstat
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2021-07-01 00:51:55 -04:00 |
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88c8d1a3c6
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rename "minimal" preset to "basic"
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2021-06-30 20:39:17 -04:00 |
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e4bb7da69f
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small tweak
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2021-06-30 20:25:21 -04:00 |
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b1d16508fe
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small tweak to recover first initialization settings for consistent output
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2021-06-30 17:40:42 -04:00 |
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2ca87ccd3f
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handle package dependency issues
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2021-06-30 15:09:58 -04:00 |
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63da5c4ba1
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fix typo
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2021-06-30 15:08:24 -04:00 |
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7ba9c22d2c
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update installation instructions and remove references to patches which we don't provide anymore
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2021-06-30 14:54:58 -04:00 |
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11328cbed2
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update package variables and implement minimal/most selection of packages
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2021-06-30 14:45:26 -04:00 |
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1c25caaa6e
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convert explicit tables of packages to simpler to maintain table from list constructs
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2021-06-30 14:40:20 -04:00 |
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d7a24dee91
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Add warning
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2021-06-30 12:08:33 -06:00 |
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4928bd8b3d
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Merge branch 'master' of github.com:lammps/lammps into kk_finalize
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2021-06-30 10:18:12 -06:00 |
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d47f2aca53
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recover compilation with CMake
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2021-06-29 22:18:27 -04:00 |
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cc0d9f2be0
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recover building the manual
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2021-06-29 21:49:21 -04:00 |
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16002ddb54
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rename some more example folders
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2021-06-29 21:48:57 -04:00 |
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