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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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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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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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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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ca301f040b
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add missing include for compiling with intel compilers without TBB
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2019-09-13 09:47:02 -04:00 |
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548fd40e9a
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make certain that nvalues class member is initialized
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2019-09-13 09:15:39 -04:00 |
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7386956dc5
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remove misspelled word from false positives list
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2019-09-13 08:52:09 -04:00 |
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be0587eab5
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Merge pull request #1670 from akohlmey/fix-rigid-nh-no-extended
Consolidate constants and enumerators across rigid fix styles
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2019-09-13 08:04:16 -04:00 |
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1f9decadf8
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fix typo
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2019-09-13 08:03:02 -04:00 |
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be38ef0eb0
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make native dump reader compatible with dump files containing ITEM: UNITS
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2019-09-12 15:26:02 -04:00 |
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0c52a7ed70
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update documentation
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2019-09-12 15:23:15 -04:00 |
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b9af05d7f4
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add dump style local/gz to COMPRESS packages
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2019-09-12 14:38:09 -04:00 |
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e413aaf217
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add support for optionally including unit information in standard dump files
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2019-09-12 14:37:42 -04:00 |
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fa164fffba
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explain new semantics for accessing pN for hybrid styles
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2019-09-12 13:59:05 -04:00 |
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1e0cd0b202
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separate out svector handling to new virtual functions, so it can be handled differently for pair styles hybrid and hybrid/overlay
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2019-09-12 12:30:22 -04:00 |
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5d0c86be48
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add omitted cmake entries for recent KOKKOS package changes
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2019-09-12 07:33:22 -04:00 |
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1631ecb3fe
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integrate pair style local density into manual builds
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2019-09-11 14:18:27 -04:00 |
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ae1054a243
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change formatting so that sphinx is happier
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2019-09-11 14:17:53 -04:00 |
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ce7c3e6864
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Merge pull request #1648 from athomps/add_w_l_orientorder
Add w l orientorder
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2019-09-11 14:08:33 -04:00 |
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df63a53788
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Merge pull request #1650 from stanmoore1/kk_minimize
Add Kokkos version of minimize
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2019-09-11 14:04:47 -04:00 |
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102db258bc
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Merge pull request #1667 from edwardsmith999/master
Adjusted compute_bond_local to allow components of force to be obtained.
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2019-09-11 14:02:09 -04:00 |
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