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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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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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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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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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1f9decadf8
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fix typo
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2019-09-13 08:03:02 -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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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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07cda306a6
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Merge pull request #1668 from stanmoore1/kk_hpe
Add support for HPE MPI to Kokkos package
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2019-09-11 14:00:24 -04:00 |
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cde16580c0
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fixed alphabetical ordering in Tools.txt and added a line highlighting the tool in temper.txt
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2019-09-09 14:15:05 -07:00 |
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51786a459f
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Add support for HPE MPI to Kokkos package
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2019-09-09 10:14:30 -06:00 |
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b08b3b90da
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Adjusted compute_bond_local to allow components of force to be obtained
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2019-09-09 14:43:34 +01:00 |
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91a1971977
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added a line to tools/README and fixed the alphabetical ordering in docs
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2019-09-09 02:04:59 -07:00 |
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e40a710f04
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comm_modify docs tweak
comm_modify cutoff usage clarification, when using restart files
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2019-09-06 01:38:17 -06:00 |
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bb0225c02e
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clear svector for every invocation. document changes
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2019-09-05 14:29:10 -04:00 |
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96c21bec98
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added new valid words to doc/utils/sphinx-config/false_positives.txt
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2019-09-04 23:16:19 -07:00 |
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21699b89e0
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python tool to reorder replica traj
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2019-09-04 15:26:10 -07:00 |
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9961229226
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Update docs
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2019-08-28 10:01:00 -06:00 |
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3ec9317d03
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Modified documentation
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2019-08-26 14:28:09 -06:00 |
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07fceec1ee
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Tweaked doc page
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2019-08-25 23:26:42 -06:00 |
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fb702fa9d6
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Added FCC, BCC, and ICOS examples
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2019-08-25 23:02:41 -06:00 |
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0b34db7881
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Merge pull request #1642 from lammps/chunk-doc
add another example to Howto chunk doc page
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2019-08-25 20:16:35 -04:00 |
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f44470fe63
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Added fcc and bcc examples for the Steinhardt-Nelson parameters
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2019-08-23 16:28:13 -06:00 |
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cb999ad65f
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fix typo
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2019-08-22 13:46:24 -04:00 |
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c74f5ae416
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add another example to Howto chunk doc page
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2019-08-22 11:37:21 -06:00 |
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ad83f0e2e3
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update docs to add morse in a similar style to fix wall/region
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2019-08-21 17:12:04 -04:00 |
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aac557a98f
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integrate fix wall/morse docs properly into manual
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2019-08-21 16:00:14 -04:00 |
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6a584672e8
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implement fix wall/morse based on fix wall/region and fix wall/harmonic
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2019-08-21 16:00:14 -04:00 |
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82b3fad152
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Merge pull request #1628 from erozic/feature-wall-region-morse
Added "morse" style to the "wall/region" fix
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2019-08-21 11:47:43 -04:00 |
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cfa9179b28
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Merge pull request #1503 from etomica/master
Implement HMA compute in LAMMPS
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2019-08-21 00:12:16 -04:00 |
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b5a79f9616
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update fix wall/region docs as requested by @sjplimp (i hope)
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2019-08-20 16:50:49 -04:00 |
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3d9e737a19
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change order of morse style wall potential parameters to be consistent with pair morse and bond morse
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2019-08-20 11:27:29 -04:00 |
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a0f49f27d9
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Final tweaks to HMA documentation
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2019-08-19 18:15:19 -04:00 |
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9a849a4d4f
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Merge branch 'master' into master
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2019-08-19 15:55:39 -06:00 |
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47533bc526
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Update fix_wall_region.txt
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2019-08-13 00:31:03 +02:00 |
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ff09c19149
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documentation for fix_wall_region morse
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2019-08-13 00:10:50 +02:00 |
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18725ce060
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reformat documentation to match typical LAMMPS conventions, change links
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2019-08-09 15:42:32 -04:00 |
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11f1ba220b
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fix typo
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2019-08-09 15:30:55 -04:00 |
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838238b1ca
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documentation
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2019-08-08 00:38:41 +02:00 |
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d08d6b5fb0
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Merge pull request #1623 from akohlmey/next-version
Step version string for stable release
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2019-08-06 11:17:40 -04:00 |
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59046e7444
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step version number for stable release
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2019-08-06 08:52:54 -04:00 |
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2d64323354
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fix formatting and augment explanation for bbox option
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2019-08-05 17:21:11 -06:00 |
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25b504d4fd
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Merge pull request #1615 from akohlmey/next_version
Step version string for stable release
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2019-08-05 19:13:17 -04:00 |
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34cc7ed5b1
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Merge pull request #1619 from ellio167/kim-doc-update
Update kim query url in docs
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2019-08-05 17:39:40 -04:00 |
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2092b2c010
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Step version string for stable release
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2019-08-05 16:58:26 -04:00 |
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e39b85b62f
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Update kim query url in docs
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2019-08-05 15:23:57 -05:00 |
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