c6dc0cf8c5
flag commands and paths as literals.
2020-04-28 17:03:20 -04:00
3392dca7b8
fix typos in manual
2020-04-28 16:45:02 -04:00
87ca8a0627
Update ubuntu ppa install docs
2020-04-28 15:38:41 -05:00
8f9323a3d7
Merge pull request #2013 from wverestek/master
...
small modification to fix bond/react to allow equal style variables as probability input
2020-04-28 10:51:07 -04:00
b38e95f88c
Merge pull request #1895 from stanmoore1/kk_compute_orientorder_atom
...
Add Kokkos version of compute orientorder/atom
2020-04-27 16:34:29 -04:00
b04cc115f3
document the image flag reset for switching boundaries
2020-04-27 10:51:53 -04:00
8fec14f593
Update fix_bond_react.rst
2020-04-26 13:08:40 -06:00
a614242595
allow variable-input for Nevery, Rmin, Rmax keywords
2020-04-25 21:45:43 -06:00
72ff0dd87d
Merge pull request #2004 from stanmoore1/kk_3.1
...
Update Kokkos library in LAMMPS to v3.1
2020-04-24 18:35:53 -04:00
5cbebddae6
Merge pull request #2006 from ndtrung81/body-doc-fix
...
Fixed the doc page for fix wall/body/polyhedron
2020-04-24 18:01:50 -04:00
3f8efed1fd
Merge pull request #2010 from akohlmey/collected-small-fixes
...
Collected bug fixes and small updates
2020-04-24 17:44:49 -04:00
9c081cf439
Update from master
2020-04-24 12:18:53 -06:00
fc10e885b2
make description of eflux as a variable less convoluted
2020-04-22 08:13:27 -04:00
0288bb4b6b
small modification to fix bond/react to allow equal style variables as probability o
...
On branch master
Your branch is up to date with 'origin/master'.
Changes to be committed:
modified: doc/src/fix_bond_react.rst
new file: examples/USER/reaction/nylon,6-6_melt/in.large_nylon_melt_variable_probability
modified: src/USER-REACTION/fix_bond_react.cpp
modified: src/USER-REACTION/fix_bond_react.h
2020-04-22 13:27:10 +02:00
ea31fc11a6
add more explicit note about lack of support for pair styles in compute centroid/stress/atom
2020-04-21 12:44:13 -04:00
3c144600a5
update Kokkos related documentation for Kokkos 3.1 and refactor build info a bit
2020-04-21 11:46:16 -04:00
2348d6db62
use HOSTARCH/HOST instead of CPUARCH/CPU to better distinguish from GPUARCH/GPU
2020-04-21 08:30:16 -04:00
729646d7b5
update table of Kokkos supported archs and indicate HOST/GPU designation
2020-04-21 08:27:00 -04:00
2ac7bfc9cf
rephrase note about kernel JIT recompilation and Kepler vs. the rest compatibility
2020-04-21 08:26:01 -04:00
42203bbc35
fix two more typos
2020-04-19 16:37:52 -04:00
a7391d1e36
small corrections/updates for the polymorphic pair style docs
2020-04-18 10:14:38 -04:00
1599d98425
Fixed the doc page for fix wall/body/polyhedron
2020-04-17 13:33:47 -05:00
ba66f05a04
some reformatting and minor cleanup of the documentation
2020-04-16 19:14:42 -04:00
42a59921f9
fix spelling issues
2020-04-16 19:04:26 -04:00
21e9db6bdf
Merge branch 'master' into polymorphic-update
2020-04-16 18:18:41 -04:00
4fa0186b68
update docs to cleanly translate
2020-04-16 18:17:38 -04:00
348118317c
Update Kokkos docs
2020-04-16 12:36:43 -06:00
f8f69996eb
Remove obsolete note
2020-04-16 11:49:03 -06:00
4c870be433
Merge pull request #1957 from david-castillo/restrain_lbound
...
add moving bond restraints and a lower bound only bond restraint
2020-04-15 14:45:07 -04:00
01f97f1936
Merge branch 'master' into restrain_lbound
2020-04-15 14:24:47 -04:00
e7cce60777
Merge pull request #1889 from lammps/change-box-error-check
...
delay change_box error check with existing per-atom restart data
2020-04-15 12:29:32 -04:00
08d01e6417
import polymorphic pair style update from Xiaowang Zhou
2020-04-15 11:31:30 -04:00
0796a7032e
same doc change for "lbond" option
2020-04-15 11:22:48 -04:00
e94576ecd8
update documentation as requested
2020-04-15 11:21:25 -04:00
80311891f1
Merge pull request #1874 from akohlmey/generalize-box-change-detect
...
Refactor handling of box change information from fixes
2020-04-15 11:14:45 -04:00
f5733ccd75
Merge pull request #1978 from evoyiatzis/class2_cs
...
core-shell version of pair_style lj/class2/coul/long
2020-04-14 22:59:46 -04:00
c50e49fce4
Merge pull request #1967 from julient31/neel-rework
...
Correct issue #1959 and correct issues in SPIN package
2020-04-14 21:32:37 -04:00
7d71d5bfb3
Merge pull request #1981 from akohlmey/simplify_build_choices
...
Simplify choices for building LAMMPS and add some howtos for CMake and getting stack traces
2020-04-14 10:57:54 -04:00
41cfb3ae80
Merge branch 'master' into neel-rework
2020-04-14 05:57:08 -04:00
b8b1e60b37
describe various abstract build targets for CMake
2020-04-14 01:13:46 -04:00
3c2b23e821
small tweaks and grammar corrections
2020-04-14 01:13:22 -04:00
4f8d4a10d9
small tweaks and grammar/style improvements
2020-04-14 00:00:21 -04:00
a5059092b3
fix permissions
2020-04-13 22:26:20 -04:00
8962da19ca
complete cmake howto
2020-04-13 19:39:00 -04:00
6e4d5fd020
address spelling and other minor issues
2020-04-13 14:34:39 -04:00
e9fdc5e84b
rework the debug info section to be more readable and make the options more visible
2020-04-13 14:34:23 -04:00
74143a3d89
Merge branch 'master' into simplify_build_choices
2020-04-13 11:02:35 -04:00
4abff7b4d3
Merge pull request #1986 from akohlmey/correct-kokkos-docs
...
Update docs and CMake scripts for Kokkos 3.0+
2020-04-13 11:01:26 -04:00
03634b12df
add missing pair style. Coulombic/Coulombics -> Coulomb for consistency
2020-04-13 10:38:09 -04:00
29f9ca4b54
use list-table and figure to have side-by-side images
2020-04-13 10:30:01 -04:00
