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5d88e12583
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correct model comment and remove trailing whitespace
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2019-09-25 14:33:07 -04:00 |
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a5db0463ec
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list lines in doc source files with non-ASCII characters
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2019-09-25 13:36:57 -04:00 |
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107369518e
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replace non-ASCII characters with their ASCII equivalents
# Conflicts:
# doc/src/fix_wall_stochastic.txt
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2019-09-25 13:36:18 -04:00 |
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aa2b885783
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Merge pull request #1687 from akohlmey/next_patch_release
Step version string for next patch release
patch_19Sep2019
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2019-09-19 17:18:12 -04:00 |
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d84cbe49a4
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Merge pull request #1686 from cusentino/snap-WBe-example
Added W-Be example to example/snap folder
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2019-09-19 15:38:35 -04:00 |
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6f06b3ecf1
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Merge pull request #1645 from jrgissing/bond/react-max_rxn-bug
Bond/react: max_rxn bugfix + restart reaction counts
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2019-09-19 15:21:40 -04:00 |
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3fd43224b3
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update comments in example inputs
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2019-09-19 15:17:52 -04:00 |
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b7d9337da4
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remove a tab
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2019-09-19 15:13:53 -04:00 |
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077647b4e2
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whitespace cleanup
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2019-09-19 14:54:48 -04:00 |
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95f59f5bf1
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cosmetic changes
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2019-09-19 13:58:30 -04:00 |
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415698d570
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update examples/README
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2019-09-19 13:53:54 -04:00 |
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12071eec1a
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Merge pull request #1683 from wmbrownIntel/user-intel-g2s
USER-INTEL: Explictly disabling G2S opts to improve lj/cut, eam, and …
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2019-09-19 13:48:05 -04:00 |
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5c74782c84
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step version for next patch release
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2019-09-19 11:54:24 -04:00 |
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b0b340051c
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Merge pull request #1684 from akohlmey/cxx-11-test
Implement test for C++11 and document it
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2019-09-19 11:46:08 -04:00 |
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ed6dd1a632
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Merge pull request #1666 from tanmoy7989/local_density
added LD potential and wrote html-style doc
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2019-09-19 11:45:46 -04:00 |
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d4dbc32ba2
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Merge pull request #1672 from akohlmey/dump-with-unit
Add ITEM: UNITS line to native text format dumps
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2019-09-19 10:31:13 -04:00 |
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eab66f27fd
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Merge pull request #1681 from akohlmey/collected-small-fixes
Collected small changes for next patch release
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2019-09-19 10:27:54 -04:00 |
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c26c8aca4f
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get rid of (evil) tabs and trailing whitespace in bundled Pizza.py components
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2019-09-19 07:34:27 -04:00 |
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b049b59015
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revised documentation and added a citation trigger in .cpp file
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2019-09-19 00:25:22 -07:00 |
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5dba4b66c8
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add warning banner to the LAMMPS output and refer to the C++11 issue on github
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2019-09-18 16:56:14 -04:00 |
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e847777e43
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Added W-Be example to example/snap folder
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2019-09-18 14:34:20 -06:00 |
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2ea11b3195
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implement test for C++11 and document it
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2019-09-18 15:50:26 -04:00 |
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df3fad3b49
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output number of processors when reporting a mismatch on reading a restart
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2019-09-18 14:35:12 -04:00 |
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572235e66a
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Merge pull request #1660 from tanmoy7989/reorder_remd_traj
python tool to reorder replica traj
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2019-09-17 17:29:50 -04:00 |
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28b634f20d
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some more whitespace cleanup
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2019-09-17 16:10:32 -04:00 |
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fd63b08f99
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Merge branch 'reorder_remd_traj' of github.com:tanmoy7989/lammps into reorder_remd_traj
# Conflicts:
# tools/replica/reorder_remd_traj.py
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2019-09-17 16:09:13 -04:00 |
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636a8aaef9
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whitespace cleanup, mention pip install --user
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2019-09-17 16:06:12 -04:00 |
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d4d5f241eb
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use improper style fourier instead of non-existing style opls
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2019-09-17 14:48:58 -04:00 |
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8ff6122560
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correct documentation of improper style fourier
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2019-09-17 14:48:11 -04:00 |
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5cf0a5bf6d
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USER-INTEL: Reverting whitespace in Makefiles from last changes.
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2019-09-17 09:31:51 -07:00 |
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22f0ca7440
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Merge branch 'master' into user-intel-g2s
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2019-09-17 19:30:11 -07:00 |
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7f037b6c30
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some more whitespace cleanup
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2019-09-17 12:05:04 -04:00 |
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27f9ae1017
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evil tab removal
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2019-09-17 08:37:32 -04:00 |
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0c9697a685
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documentation whitespace cleanup
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2019-09-17 08:35:20 -04:00 |
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b2c6244b79
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fix typos
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2019-09-17 08:24:40 -04:00 |
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fb7a439cd2
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Merge pull request #1662 from akohlmey/hybrid-svector-fix
Fix bugs in handling of local pair property computes with hybrid pair styles
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2019-09-17 08:21:15 -04:00 |
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3e4f1d1cb8
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replace tabs
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2019-09-17 08:02:30 -04:00 |
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66ddcd86a3
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USER-INTEL: Explictly disabling G2S opts to improve lj/cut, eam, and dpd performance. Removing -fno-alias flag from Makefiles due to issues with 2019 compilers and adding explicit _noalias qualifier for some variables to compensate.
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2019-09-17 02:50:37 -07:00 |
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f81c1aae26
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Merge branch 'master' into hybrid-svector-fix
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2019-09-16 22:28:48 -04:00 |
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357ca4605c
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Merge pull request #1677 from athomps/update-steinhardt-example
Added log files and updated README
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2019-09-16 21:11:55 -04:00 |
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e51e25882b
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Merge branch 'master' to clear KOKKOS CI failures
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2019-09-16 16:39:50 -04:00 |
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d357259cc4
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Merge pull request #1669 from stanmoore1/kk_ports
Port misc files to Kokkos
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2019-09-16 16:35:55 -04:00 |
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790d7d9fae
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Added log files and updated README
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2019-09-13 15:59:25 -06:00 |
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c37d001178
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fix stupid typo
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2019-09-13 16:13:16 -04:00 |
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c1e7294b42
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Merge branch 'master' into kk_ports
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2019-09-13 12:30:53 -04:00 |
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e8f94447f7
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Merge branch 'master' into hybrid-svector-fix
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2019-09-13 12:28:45 -04:00 |
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d62ef0df82
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add omitted cmake entries for recent KOKKOS package changes
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2019-09-13 12:26:07 -04:00 |
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4593e159ef
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update docs to indicate KOKKOS support for dihedral style harmonic
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2019-09-13 12:25:23 -04:00 |
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5a07db8465
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tweak docs for dump_modify units command some more
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2019-09-13 12:07:39 -04:00 |
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0a176d48d8
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clarify that each created file will have the ITEM: UNITS lines
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2019-09-13 11:59:55 -04:00 |
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