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a91e904f34
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minor changes
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2021-04-17 14:56:16 +03:00 |
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3e3f66adac
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Merge branch 'master' into smooth-gpu
Added gpu acceleration for smooth pair_style.
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2021-04-07 14:15:33 +03:00 |
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4ba45ddd84
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Merge pull request #2697 from ndtrung81/fix-rigid-nh-small-deposit
Fixed a bug with rigid/{nvt,npt,nve,nph}/small when used with fix deposit
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2021-04-06 16:08:12 -04:00 |
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00e4bdb2b7
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Merge pull request #2692 from arghdos/master
Porting to new default platform for AMD/HIP in ROCm 4.1
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2021-04-06 14:39:30 -04:00 |
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0b4d3588b5
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Merge pull request #2695 from akohlmey/collected-small-changes
Collected small changes and fixes
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2021-04-06 14:12:51 -04:00 |
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e332382dea
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Merge pull request #2696 from rbberger/offline_builds
CMake: Improve support for offline builds
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2021-04-06 13:52:11 -04:00 |
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698b9b9519
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relax epsilon some more
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2021-04-06 13:36:27 -04:00 |
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e01e0298cb
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fix uninitialized data access after restart bug in USER-YAFF pair styles
also fix some source formatting issues
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2021-04-06 13:32:42 -04:00 |
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db400c91ae
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relax error a little bit to avoid failure on macos
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2021-04-06 11:37:59 -04:00 |
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d346c53914
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silence compiler warnings about formats
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2021-04-06 11:28:19 -04:00 |
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11d62b71c3
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use clang preset when compiling on MacOS
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2021-04-06 11:11:01 -04:00 |
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1fe284dbba
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add examples for using fix rigid/nv?/small with fix deposit
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2021-04-06 07:55:43 -04:00 |
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8e28252ac9
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Updated fix rigid/nh for the (g_f == 0) case
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2021-04-06 00:19:20 -05:00 |
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2fc9734fab
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Fixed a bug with rigid/*/small when starting with an empty group of rigid bodies such as when using fix deposit
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2021-04-05 23:51:11 -05:00 |
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94068cc4c7
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Add missing GTEST_MD5
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2021-04-05 16:17:41 -04:00 |
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7e57d6a334
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add tests for "rerun"
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2021-04-05 16:01:27 -04:00 |
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fc6e10921d
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add post yes/no keyword to rerun commmand (with default to no)
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2021-04-05 15:38:59 -04:00 |
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cbd439692e
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Update cmake/Modules/Packages/KIM.cmake
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2021-04-05 15:36:14 -04:00 |
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d4550dbb4b
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Update cmake/Modules/Packages/USER-SMD.cmake
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2021-04-05 15:32:18 -04:00 |
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2509190dae
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Update cmake/Modules/YAML.cmake
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2021-04-05 15:29:33 -04:00 |
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88b9e99707
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Update cmake/Modules/Packages/GPU.cmake
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2021-04-05 15:26:58 -04:00 |
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b718903efc
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Update cmake/Modules/Packages/USER-PLUMED.cmake
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2021-04-05 15:10:01 -04:00 |
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8ccc19bb2a
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Update cmake/Modules/Packages/LATTE.cmake
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2021-04-05 15:05:48 -04:00 |
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0277883fb2
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Update cmake/Modules/Packages/USER-SCAFACOS.cmake
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2021-04-05 15:05:48 -04:00 |
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725332614a
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Update cmake/Modules/Packages/MSCG.cmake
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2021-04-05 15:05:47 -04:00 |
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42ca8c5ba0
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Update cmake/Modules/Packages/VORONOI.cmake
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2021-04-05 15:05:47 -04:00 |
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192ee276b1
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Update cmake/Modules/Packages/KOKKOS.cmake
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2021-04-05 15:05:47 -04:00 |
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614411130b
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Update cmake/Modules/Documentation.cmake
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2021-04-05 14:44:27 -04:00 |
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3b14606f06
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Update cmake/Modules/MPI4WIN.cmake
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2021-04-05 14:43:05 -04:00 |
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8533bb17e7
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Update cmake/Modules/OpenCLLoader.cmake
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2021-04-05 14:36:38 -04:00 |
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4e4a571dbd
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Add advanced LAMMPS_DOWNLOADS_URL cmake option
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2021-04-05 14:31:13 -04:00 |
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e00e2676fc
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add tests for utils::open_potential()
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2021-04-04 22:23:13 -04:00 |
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a858c07e8a
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add unit tests for empty id, invalid timespecs, and merge sort
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2021-04-04 21:51:48 -04:00 |
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67d4302fc7
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add tests for tokenizer skip() function and throwing an exception
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2021-04-04 21:51:06 -04:00 |
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1e7e930d55
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generalize match to fit all rigid/small derived fixes
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2021-04-04 21:14:40 -04:00 |
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36c6410fd8
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make skip() function argument optional and default to 1
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2021-04-04 21:14:12 -04:00 |
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d1b6aaa3f3
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plugins also have a .so suffix on MacOS (unlike shared libs)
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2021-04-04 20:57:29 -04:00 |
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5e0b017d30
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update information about adding unit tests to reflect recent changes
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2021-04-04 20:51:58 -04:00 |
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b2e9ffa673
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add missing entry to standard packages list
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2021-04-03 11:15:00 -04:00 |
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678302bfcb
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avoid a floating point exception in RanMars::rayleigh() from taking log(0)
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2021-04-02 22:08:39 -04:00 |
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9da49d9c6f
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Merge pull request #2685 from akohlmey/collected-small-changes
Collected small changes and fixes
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2021-04-02 19:42:04 -04:00 |
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66e885b6e5
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Merge branch 'master' into collected-small-changes
# Conflicts:
# src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp
# src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp
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2021-04-02 17:57:54 -04:00 |
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b976c2d13c
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Merge pull request #2679 from akohlmey/more-unittests
Expand unit tests
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2021-04-02 17:51:29 -04:00 |
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1c43b4a4c3
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Merge branch 'fix_ave_chunk_cdof_bug' into collected-small-changes
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2021-04-02 17:50:33 -04:00 |
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90ab63f9ad
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Merge branch 'master' into collected-small-changes
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2021-04-02 17:49:27 -04:00 |
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2c00136f22
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used correct suffix when installing plugin binaries for testing
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2021-04-02 17:49:15 -04:00 |
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abfe8bab59
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fix uninitialized memory access issues. consolidate enumerators.
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2021-04-02 17:32:29 -04:00 |
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2a10b5ba69
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fix bug causing segfaults
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2021-04-02 17:21:34 -04:00 |
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af6452065f
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correct URL to XTC file format docs on the gromacs homepage
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2021-04-02 16:48:13 -04:00 |
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7d85461e97
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Prevent compilation from breaking with Python 2
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2021-04-02 16:32:25 -04:00 |
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