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6451 Commits

Author SHA1 Message Date
Steve Plimpton 18c63ade92 clarified AMD quote from review paper 2020-04-29 16:14:52 -06:00
Axel Kohlmeyer 754d9fabc6
Merge branch 'ubuntu-install-docs' of github.com:ellio167/lammps into ubuntu-install-docs 2020-04-28 17:27:49 -04:00
Axel Kohlmeyer b3d8986603
list update kokkos flag 2020-04-28 17:27:23 -04:00
Ryan S. Elliott e9a777e63d Add explaination of potenentials directory behavior for `lmp_daily` 2020-04-28 16:16:28 -05:00
Axel Kohlmeyer 4bb5f99801
fix underline 2020-04-28 17:15:48 -04:00
Axel Kohlmeyer c6dc0cf8c5
flag commands and paths as literals. 2020-04-28 17:03:20 -04:00
Axel Kohlmeyer 3392dca7b8
fix typos in manual 2020-04-28 16:45:02 -04:00
Ryan S. Elliott 87ca8a0627 Update ubuntu ppa install docs 2020-04-28 15:38:41 -05:00
Axel Kohlmeyer 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
Axel Kohlmeyer 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
Axel Kohlmeyer b04cc115f3
document the image flag reset for switching boundaries 2020-04-27 10:51:53 -04:00
Jacob Gissinger 8fec14f593 Update fix_bond_react.rst 2020-04-26 13:08:40 -06:00
Jacob Gissinger a614242595 allow variable-input for Nevery, Rmin, Rmax keywords 2020-04-25 21:45:43 -06:00
Axel Kohlmeyer 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
Axel Kohlmeyer 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
Axel Kohlmeyer 3f8efed1fd
Merge pull request #2010 from akohlmey/collected-small-fixes 
Collected bug fixes and small updates
 2020-04-24 17:44:49 -04:00
Stan Moore 9c081cf439 Update from master 2020-04-24 12:18:53 -06:00
Axel Kohlmeyer fc10e885b2
make description of eflux as a variable less convoluted 2020-04-22 08:13:27 -04:00
wverestek 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
Axel Kohlmeyer db4c6e4056
update include file conventions since we no longer require C++98 for LAMMPS core files 2020-04-21 19:31:18 -04:00
Axel Kohlmeyer 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
Axel Kohlmeyer 3c144600a5
update Kokkos related documentation for Kokkos 3.1 and refactor build info a bit 2020-04-21 11:46:16 -04:00
Axel Kohlmeyer 2348d6db62
use HOSTARCH/HOST instead of CPUARCH/CPU to better distinguish from GPUARCH/GPU 2020-04-21 08:30:16 -04:00
Axel Kohlmeyer 729646d7b5
update table of Kokkos supported archs and indicate HOST/GPU designation 2020-04-21 08:27:00 -04:00
Axel Kohlmeyer 2ac7bfc9cf
rephrase note about kernel JIT recompilation and Kepler vs. the rest compatibility 2020-04-21 08:26:01 -04:00
Axel Kohlmeyer 42203bbc35
fix two more typos 2020-04-19 16:37:52 -04:00
Axel Kohlmeyer a7391d1e36
small corrections/updates for the polymorphic pair style docs 2020-04-18 10:14:38 -04:00
Trung Nguyen 1599d98425 Fixed the doc page for fix wall/body/polyhedron 2020-04-17 13:33:47 -05:00
Axel Kohlmeyer ba66f05a04
some reformatting and minor cleanup of the documentation 2020-04-16 19:14:42 -04:00
Axel Kohlmeyer 42a59921f9
fix spelling issues 2020-04-16 19:04:26 -04:00
Axel Kohlmeyer 21e9db6bdf
Merge branch 'master' into polymorphic-update 2020-04-16 18:18:41 -04:00
Axel Kohlmeyer 4fa0186b68
update docs to cleanly translate 2020-04-16 18:17:38 -04:00
Stan Moore 348118317c Update Kokkos docs 2020-04-16 12:36:43 -06:00
Stan Moore f8f69996eb Remove obsolete note 2020-04-16 11:49:03 -06:00
Axel Kohlmeyer fa6922a182
Merge pull request #1994 from akohlmey/next_lammps_version 
Update version string for next patch release
 2020-04-15 16:09:52 -04:00
Axel Kohlmeyer 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
Axel Kohlmeyer 01f97f1936
Merge branch 'master' into restrain_lbound 2020-04-15 14:24:47 -04:00
Axel Kohlmeyer 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
Axel Kohlmeyer 08d01e6417
import polymorphic pair style update from Xiaowang Zhou 2020-04-15 11:31:30 -04:00
Axel Kohlmeyer 0796a7032e
same doc change for "lbond" option 2020-04-15 11:22:48 -04:00
Axel Kohlmeyer e94576ecd8
update documentation as requested 2020-04-15 11:21:25 -04:00
Axel Kohlmeyer 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
Axel Kohlmeyer 3deece168e
Merge branch 'master' into next_lammps_version 2020-04-15 05:08:53 -04:00
Axel Kohlmeyer 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
Axel Kohlmeyer 5951555de4
Merge branch 'master' into next_lammps_version 2020-04-14 21:36:59 -04:00
Axel Kohlmeyer 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
Axel Kohlmeyer 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
Axel Kohlmeyer 41cfb3ae80
Merge branch 'master' into neel-rework 2020-04-14 05:57:08 -04:00
Axel Kohlmeyer b8b1e60b37
describe various abstract build targets for CMake 2020-04-14 01:13:46 -04:00
Axel Kohlmeyer 3c2b23e821
small tweaks and grammar corrections 2020-04-14 01:13:22 -04:00