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b124de3484
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Merge branch 'master' of https://github.com/lammps/lammps into lammps-master
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2021-06-07 22:48:51 -04:00 |
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d74d7cfd5f
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Merge pull request #2789 from rbberger/gpu_hip_fixes
More GPU fixes for HIP
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2021-06-04 01:08:53 -04:00 |
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2463c2dd71
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Merge pull request #2787 from rbberger/python_updates
Update to Python package and examples
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2021-06-04 00:26:48 -04:00 |
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41787088a3
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Merge pull request #2790 from rbberger/docs_canonical_url
Allow setting canonical URL in doc build
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2021-06-03 23:16:48 -04:00 |
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6fb6980987
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Set copyright date automatically
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2021-06-03 14:18:20 -04:00 |
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2b012f4af7
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Update copyright date in docs
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2021-06-03 13:16:04 -04:00 |
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21607fe0ce
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Update website URL in lammps theme
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2021-06-03 12:03:36 -04:00 |
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1e66dfbd74
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Add LAMMPS_WEBSITE_BASEURL env variable to set canonical URL in docs
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2021-06-02 17:44:45 -04:00 |
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8ea9179a00
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Correct device pointer datatype in HIP UCL_Const
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2021-06-02 15:46:57 -04:00 |
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62423b0c75
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Disable new GPU neighbor for HIP
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2021-06-02 15:45:06 -04:00 |
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7e05c6f8fd
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Update ROCm container defintiion and add missing lib path
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2021-06-02 14:40:37 -04:00 |
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a1194e89d5
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Remove unused sys.path
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2021-06-02 13:17:08 -04:00 |
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249a2a6783
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Sync copies of pizza
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2021-06-02 13:09:52 -04:00 |
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3f1bbf7c71
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Add support for building wheels with pip
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2021-06-02 11:46:48 -04:00 |
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41d289e2b0
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Keep Python 2 code path
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2021-06-02 11:18:00 -04:00 |
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3d991cda6f
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Remove pypar from docs
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2021-06-02 11:13:44 -04:00 |
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5fe890679c
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Remove pypar and non-functional commented code
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2021-06-02 11:07:18 -04:00 |
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0aaad39233
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Remove MPI comments in gui.py
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2021-06-01 18:10:47 -04:00 |
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400b55e6d5
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Remove mentions of Pypar
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2021-06-01 17:51:06 -04:00 |
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232ae5e856
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Fix typo in core.py
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2021-06-01 17:36:45 -04:00 |
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6c86abc3b3
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Use default matplotlib engine and use pause for animation
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2021-06-01 16:59:00 -04:00 |
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313389c0ad
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Correct title in gnuplot graph
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2021-06-01 16:57:37 -04:00 |
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62675e6e2b
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Minor fixes in pizza tools
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2021-06-01 16:57:19 -04:00 |
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0d0c0ab136
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Move import to get_ctypes_int() function
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2021-06-01 15:31:00 -04:00 |
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20ffacaf70
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Add exception type
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2021-06-01 15:30:28 -04:00 |
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49536ce02c
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Make compliance.py Python 3 compatible
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2021-06-01 15:15:11 -04:00 |
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6f00e98945
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Merge pull request #2785 from akohlmey/next_patch_release
Step version string for next patch release
patch_27May2021
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2021-05-27 17:13:03 -04:00 |
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bd1c5592ab
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Merge pull request #2784 from akohlmey/set-python-home
Internally set PYTHONHOME for LAMMPS on Windows
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2021-05-27 16:45:34 -04:00 |
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129c517abe
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link to copy of GPLv2 inside of LAMMPS distribution
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2021-05-27 16:09:28 -04:00 |
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98023e73b9
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clarify GPL version and fix URLs
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2021-05-27 15:44:56 -04:00 |
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2ee3e5851d
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step version string for next patch release
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2021-05-27 15:25:40 -04:00 |
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b4e5298bf8
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Merge pull request #2783 from stanmoore1/kk_update_3.4.1
Update Kokkos library in LAMMPS to v3.4.1
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2021-05-27 15:10:34 -04:00 |
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89058e8712
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skip bundling GPLv3 lib
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2021-05-27 15:05:27 -04:00 |
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86059433f6
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Merge pull request #2570 from kipbarrett/pair_rann
Add new Package USER-RANN with pair style rann for using a neural network to compute energies and forces
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2021-05-27 13:07:26 -04:00 |
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8c8e4eaeec
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Update Kokkos arch list
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2021-05-27 10:48:10 -06:00 |
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0895abaa74
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Update Kokkos CMake file
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2021-05-27 10:40:31 -06:00 |
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a660f286b1
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internally forward LAMMPSHOME environment variable, if present, to PYTHONHOME
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2021-05-27 12:39:25 -04:00 |
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76a472d8b8
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Merge pull request #2640 from ndtrung81/eam-gpu
Fixing bugs on eam*/gpu for pair hybrid with neigh yes, where the gpu…
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2021-05-27 12:11:13 -04:00 |
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e2f702ab63
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Merge pull request #2768 from rbberger/doc_versions
Prepare LAMMPS manual to show multiple versions and downloads
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2021-05-27 10:54:43 -04:00 |
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7d2f252568
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Update Kokkos library in LAMMPS to v3.4.1
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2021-05-27 08:45:16 -06:00 |
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40a5c2de5b
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Merge pull request #2782 from jrgissing/bond/react-doc-tweaks
Bond/react doc tweaks
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2021-05-27 10:41:14 -04:00 |
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0713e95873
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integrate documentation
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2021-05-26 16:55:51 -04:00 |
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258afaafd8
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whitespace
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2021-05-26 16:05:52 -04:00 |
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80fc111b5c
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add new package to .gitignore
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2021-05-26 16:05:45 -04:00 |
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64aa84a851
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remove dead code
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2021-05-26 16:01:26 -04:00 |
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f703025c32
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whitespace
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2021-05-26 16:01:03 -04:00 |
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4b37421318
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Add word
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2021-05-26 16:00:58 -04:00 |
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c13b1b39ef
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Change title and add forum page link
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2021-05-26 15:58:30 -04:00 |
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409dd02eae
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Merge remote-tracking branch 'origin/master' into doc_versions
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2021-05-26 15:54:56 -04:00 |
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368765f10f
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disable automatic clang-format processing for .cpp files
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2021-05-26 15:41:44 -04:00 |
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