ce7c3e6864
Merge pull request #1648 from athomps/add_w_l_orientorder
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Add w l orientorder
2019-09-11 14:08:33 -04:00
df63a53788
Merge pull request #1650 from stanmoore1/kk_minimize
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Add Kokkos version of minimize
2019-09-11 14:04:47 -04:00
102db258bc
Merge pull request #1667 from edwardsmith999/master
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Adjusted compute_bond_local to allow components of force to be obtained.
2019-09-11 14:02:09 -04:00
07cda306a6
Merge pull request #1668 from stanmoore1/kk_hpe
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Add support for HPE MPI to Kokkos package
2019-09-11 14:00:24 -04:00
1e8e34f33d
appended fix_langevin.txt documentation
2019-09-10 17:34:49 -07:00
3df5321e00
Fixed extraneous paragraph in doc/src/fix_langevin.tct
2019-09-10 16:56:31 -07:00
e34b7840d5
Updated documentation and added MD results
2019-09-10 15:53:32 -07:00
cde16580c0
fixed alphabetical ordering in Tools.txt and added a line highlighting the tool in temper.txt
2019-09-09 14:15:05 -07:00
51786a459f
Add support for HPE MPI to Kokkos package
2019-09-09 10:14:30 -06:00
b08b3b90da
Adjusted compute_bond_local to allow components of force to be obtained
2019-09-09 14:43:34 +01:00
e7d8165a46
fixed spelling mistakes reported by sphix
2019-09-09 02:16:30 -07:00
91a1971977
added a line to tools/README and fixed the alphabetical ordering in docs
2019-09-09 02:04:59 -07:00
8c113f5fdb
added LD potential and wrote html-style doc
2019-09-09 01:51:04 -07:00
450f437d9f
bond/react:another edge atom clarification
2019-09-08 22:59:59 -06:00
e40a710f04
comm_modify docs tweak
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comm_modify cutoff usage clarification, when using restart files
2019-09-06 01:38:17 -06:00
49b5825e8d
bond/react docs tweak: address a common mistake
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no atom of a small molecule should be specified as an edge atom
2019-09-05 23:50:57 -06:00
bb0225c02e
clear svector for every invocation. document changes
2019-09-05 14:29:10 -04:00
96c21bec98
added new valid words to doc/utils/sphinx-config/false_positives.txt
2019-09-04 23:16:19 -07:00
21699b89e0
python tool to reorder replica traj
2019-09-04 15:26:10 -07:00
50af20d194
bond/react: remember reaction counts
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allow restart files to restore cumutative reaction counts
2019-09-01 23:31:31 -06:00
9961229226
Update docs
2019-08-28 10:01:00 -06:00
f1563ed988
Commit JT 082719
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- correcting min_modify.txt
2019-08-27 17:44:04 -06:00
3ec9317d03
Modified documentation
2019-08-26 14:28:09 -06:00
07fceec1ee
Tweaked doc page
2019-08-25 23:26:42 -06:00
fb702fa9d6
Added FCC, BCC, and ICOS examples
2019-08-25 23:02:41 -06:00
0b34db7881
Merge pull request #1642 from lammps/chunk-doc
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add another example to Howto chunk doc page
2019-08-25 20:16:35 -04:00
f44470fe63
Added fcc and bcc examples for the Steinhardt-Nelson parameters
2019-08-23 16:28:13 -06:00
cb999ad65f
fix typo
2019-08-22 13:46:24 -04:00
c74f5ae416
add another example to Howto chunk doc page
2019-08-22 11:37:21 -06:00
8ec4e3fc91
Commit JT 082219
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- modified min spin names (removed oso from spin/cg and spin/lbfgs)
- modified associated option name (from spin_oso_cg to spin/cg, same for
lbfgs)
- modified .gitignore, doc pages, and examples accordingly
2019-08-22 10:48:58 -06:00
ad83f0e2e3
update docs to add morse in a similar style to fix wall/region
2019-08-21 17:12:04 -04:00
aac557a98f
integrate fix wall/morse docs properly into manual
2019-08-21 16:00:14 -04:00
6a584672e8
implement fix wall/morse based on fix wall/region and fix wall/harmonic
2019-08-21 16:00:14 -04:00
82b3fad152
Merge pull request #1628 from erozic/feature-wall-region-morse
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Added "morse" style to the "wall/region" fix
2019-08-21 11:47:43 -04:00
12c73e7a61
Merge branch 'upstream-master' into OSO
2019-08-21 14:03:42 +00:00
cfa9179b28
Merge pull request #1503 from etomica/master
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Implement HMA compute in LAMMPS
2019-08-21 00:12:16 -04:00
b5a79f9616
update fix wall/region docs as requested by @sjplimp (i hope)
2019-08-20 16:50:49 -04:00
3d9e737a19
change order of morse style wall potential parameters to be consistent with pair morse and bond morse
2019-08-20 11:27:29 -04:00
a0f49f27d9
Final tweaks to HMA documentation
2019-08-19 18:15:19 -04:00
9a849a4d4f
Merge branch 'master' into master
2019-08-19 15:55:39 -06:00
a5acf1655b
resolve small formatting glitch
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Text blocks must all be flush on the left side or else sphinx gets confused since indenting is part of the syntax.
2019-08-16 17:30:37 -04:00
cc14103f28
Bug fixes in granular pair style:
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- correct formula for tangent forces in style with no history in compute() and in single() functions
- remove tangent history update in the single() function
- implement correct output for tangent, normal and rolling forces in single() function
- correct typos in documentation
2019-08-16 15:28:36 -05:00
47533bc526
Update fix_wall_region.txt
2019-08-13 00:31:03 +02:00
ff09c19149
documentation for fix_wall_region morse
2019-08-13 00:10:50 +02:00
18725ce060
reformat documentation to match typical LAMMPS conventions, change links
2019-08-09 15:42:32 -04:00
11f1ba220b
fix typo
2019-08-09 15:30:55 -04:00
838238b1ca
documentation
2019-08-08 00:38:41 +02:00
d08d6b5fb0
Merge pull request #1623 from akohlmey/next-version
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Step version string for stable release
2019-08-06 11:17:40 -04:00
59046e7444
step version number for stable release
2019-08-06 08:52:54 -04:00
2d64323354
fix formatting and augment explanation for bbox option
2019-08-05 17:21:11 -06:00
