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2923dcbbd6
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Merge pull request #2258 from akohlmey/phana-update
Update phana tool for USER-PHONON from GitHub repo
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2020-07-29 16:52:47 -04:00 |
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7df8a63045
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update phana tool for USER-PHONON from github
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2020-07-29 10:48:04 -04:00 |
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29c50671da
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Merge pull request #2254 from Vsevak/fix_opencl
Fix corrupted character in GPU package
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2020-07-27 20:08:18 -04:00 |
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ae329acd3b
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Merge pull request #2255 from akohlmey/charset-cleanup
Charset cleanup in (most) source files
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2020-07-27 19:41:36 -04:00 |
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477b97f257
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remove some more extended ASCII characters
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2020-07-27 17:33:35 -04:00 |
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2bb5c53a47
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remove/replace extended ASCII characters from comments
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2020-07-27 17:15:29 -04:00 |
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634f274a04
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whitespace cleanup: replace tabs and remove trailing whitespace
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2020-07-27 17:14:53 -04:00 |
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41535d8de3
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Merge pull request #2253 from stanmoore1/kk_snap_bug
Fix issue in pair_snap_kokkos
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2020-07-27 14:09:43 -04:00 |
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93f14e9bba
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Fix broken ASCII symbol in GPU package
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2020-07-27 20:16:55 +03:00 |
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6dc52dff73
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Fix bug in pair_snap_kokkos
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2020-07-27 10:30:04 -06:00 |
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884355b335
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Merge pull request #2252 from akohlmey/collected-small-changes
Collected small changes and bugfixes
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2020-07-27 12:01:18 -04:00 |
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780fb5b376
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add test function to validate updated topology data after reset_atom_ids
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2020-07-27 10:43:37 -04:00 |
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1fb1a5f461
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fix incorrect ubuf decoding bug in reset_atom_ids
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2020-07-27 09:48:13 -04:00 |
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94c9cdbc05
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print messages about reading potential files only on MPI rank 0
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2020-07-27 06:19:35 -04:00 |
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79984e31db
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small i/o tweaks
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2020-07-24 14:10:30 -04:00 |
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783b28906e
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Merge pull request #2250 from rbberger/doc-remove-small-images
Remove unnecessary thumbnails
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2020-07-23 11:50:07 -04:00 |
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5528d4d18c
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trim excessive white from images
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2020-07-23 00:36:15 -04:00 |
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f60c13c845
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fix incorrect link
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2020-07-23 00:36:02 -04:00 |
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c21ce0b289
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make horizontally aligned image formatting consistent and display "click on" message only with html output
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2020-07-23 00:35:49 -04:00 |
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9ceb0fd6a0
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update output formatting and send all to screen and log
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2020-07-22 22:51:47 -04:00 |
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11e3adc91b
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make sure per-atom data is initialized to zero
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2020-07-22 22:51:16 -04:00 |
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545f50f9ec
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limit precision
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2020-07-22 22:50:57 -04:00 |
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b97f2e5b6b
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Update compute_saed.rst
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2020-07-22 16:48:21 -04:00 |
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bf848c0515
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Update compute_xrd.rst
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2020-07-22 16:45:56 -04:00 |
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1123add481
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Update create_atoms.rst
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2020-07-22 16:44:04 -04:00 |
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7f66099732
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Update dump_image.rst
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2020-07-22 16:41:59 -04:00 |
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b664050e28
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Update src/neb.rst
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2020-07-22 16:39:18 -04:00 |
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22a1e452ce
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Update fix_wall_gran_region.rst
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2020-07-22 16:35:45 -04:00 |
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e82367b530
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Update balance.rst and fix_balance.rst
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2020-07-22 16:31:31 -04:00 |
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e6f7a99ae2
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Update Python_examples.rst
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2020-07-22 16:27:04 -04:00 |
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6f58ed1c83
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Merge pull request #2248 from rbberger/docs-include-accel-text
Remove duplicated accelerator text passage in docs
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2020-07-22 14:14:57 -04:00 |
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89c42d081f
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Merge pull request #2247 from rbberger/wsl-docs-update
Update Windows Subsystem for Linux Tutorial
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2020-07-22 13:47:15 -04:00 |
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73eccefeb3
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Merge pull request #2246 from rbberger/docs-theme-update
Update lammps_theme (based on latest sphinx_rtd_theme)
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2020-07-22 12:55:27 -04:00 |
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feebdf9149
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print complete read_data and special output to both screen and logfile
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2020-07-22 07:23:33 -04:00 |
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f9e7b7dd19
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Remove outdated or differently formatted common text blocks
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2020-07-21 17:54:33 -04:00 |
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177a93d22d
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Replace common text block with include
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2020-07-21 17:38:56 -04:00 |
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6acc4bc849
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Update Windows Subsystem for Linux Tutorial
Fixes #1953
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2020-07-21 14:39:08 -04:00 |
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437ff2742d
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Update lammps_theme (based on latest sphinx_rtd_theme)
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2020-07-21 12:44:10 -04:00 |
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938175d2bc
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Merge pull request #2242 from akohlmey/next_lammps_version
Update version strings for next patch release
patch_21Jul2020
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2020-07-20 22:33:37 -04:00 |
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472de2e85a
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Merge pull request #2238 from yafshar/kim_fix
KIM package corrections and refactoring
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2020-07-20 21:22:59 -04:00 |
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cbdf1d3a64
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consolidate mpi4py link
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2020-07-20 20:59:47 -04:00 |
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68df62b869
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support verbose option
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2020-07-20 20:40:20 -04:00 |
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cac4c5d930
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fix merge artifact
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2020-07-20 20:40:02 -04:00 |
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5b4275002c
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Merge branch 'master' into kim_fix
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2020-07-20 20:27:41 -04:00 |
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39cefc4eb3
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Merge pull request #2241 from yafshar/cmake
Update the deprecated property and fix the empty value on macOS
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2020-07-20 12:23:20 -04:00 |
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6d70c393e1
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Merge pull request #2239 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch release
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2020-07-20 11:35:11 -04:00 |
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1f819ca333
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update the kim_param command test
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2020-07-19 18:35:20 -05:00 |
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3390e1d4c5
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starting of the kim_property command test
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2020-07-19 18:10:00 -05:00 |
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02ff2068cd
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cosmetic changes
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2020-07-19 15:19:53 -04:00 |
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78cfd3ff79
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refactor fix tune/kspace
- make use of std::string to simplify code
- skip over trying MSM, if no suitable pair style present
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2020-07-19 12:15:07 -04:00 |
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