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15043 Commits

Author SHA1 Message Date
Trung Nguyen d23788831c Updated to the doc pages of body rounded/polygon and rounded/polyhedra and the pair style: 
+ added examples for special cases with disks and rods for 2d, and spheres and rods for 3d,
+ corrected the definition of the cutoff distance in pair style command
 2018-07-17 10:54:05 -05:00
Steven J. Plimpton fa73fab5df patch 16Jul18 2018-07-16 18:12:15 -06:00
Steve Plimpton a3b6f38a42
Merge pull request #1003 from akohlmey/restart_extra_flags 
include support for 'extra/XXX/per/atom' info in restart files
 2018-07-16 15:07:43 -06:00
Steven J. Plimpton 5abbea3606 doc file changes/Qs added for body DEM particles 2018-07-16 14:52:18 -06:00
Axel Kohlmeyer 783839e985 add support for restarting extra/XXX/per/atom settings in binary restarts 2018-07-16 15:21:52 -04:00
Trung Nguyen cfa6e8717d Updated doc pages for pair body rounded/polygon and rounded/polyhedron with equations 2018-07-16 12:45:23 -05:00
Trung Nguyen 27dc7f3205 Added a tex file for the equations of pair rounded/polygon and rounded/polyhedron 2018-07-16 11:44:45 -05:00
Steve Plimpton c589029219
Merge pull request #1002 from rbberger/set_velocity_command 
Allow 'set' command to change atom velocities
 2018-07-16 08:50:15 -06:00
Steve Plimpton 140767be16
Merge pull request #1001 from stanmoore1/kk_bugfix 
Fix rare crash in Kokkos ReaxFF on GPUs
 2018-07-16 08:49:30 -06:00
Steve Plimpton 1c007ce7a1
Merge pull request #1000 from HaoZeke/fixDocs 
docs: Fix sneaky unicode character
 2018-07-16 08:49:13 -06:00
Steve Plimpton 6f1b6e7abd
Merge pull request #999 from junghans/cmake_doc 
cmake/README.md: fix GPU_ARCH options
 2018-07-16 08:48:48 -06:00
Steve Plimpton 5fc4aaef06
Merge pull request #940 from Pakketeretet2/port-enforce2d-kokkos 
Port enforce2d kokkos
 2018-07-16 08:48:21 -06:00
Trung Nguyen f7d551eb54 Added a figure illustrating pair body rounded/polygon and rounded/polyhedron 2018-07-15 08:27:55 -05:00
Richard Berger aa3d3213c9 Update set command documentation 2018-07-13 23:06:42 -04:00
Richard Berger d00eaef070 Allow 'set' command to change atom velocities 2018-07-13 23:05:44 -04:00
Trung Nguyen 8447d8dd91 Updated doc pages for pair body rounded/polygon and rounded/polyhedra 2018-07-13 14:34:50 -05:00
Stan Moore d4f8940ff2 Update command doc page for Kokkos enforce2d 2018-07-13 07:40:06 -06:00
Stan Moore 16381a52b1 Fix crash in ReaxFF on GPUs 2018-07-12 20:22:38 -06:00
HaoZeke 85511a4db8
docs: Fix sneaky unicode character 
Fixes the `pdf` target of the `Makefile`.
 2018-07-13 00:44:04 +05:30
Trung Nguyen 21f749243a Required newton on for pair styles body rounded/polygon and rounded/polyhedron 2018-07-12 10:21:06 -05:00
Christoph Junghans 4ac47ba037 cmake/README.md: fix GPU_ARCH options 2018-07-12 07:27:11 -06:00
Steve Plimpton 6dfb74f23e
Merge pull request #997 from lammps/balance-bug-fix 
2 small bug fixes to load balancing
 2018-07-11 16:13:22 -06:00
Steven J. Plimpton b31f0245d0 2 small bug fixes to load balancing 2018-07-11 15:55:16 -06:00
Marshall McDonnell aa705f6122 Added tail correction to fix gcmc 2018-07-11 15:59:48 -04:00
Steve Plimpton f288331874
Merge pull request #993 from lammps/doc-plus-makefile 
better rRESPA doc page, also a new Makefile.theta
 2018-07-11 12:53:31 -06:00
Stan Moore 71f6991233 Small tweaks to fix_enforce2d_kokkos 2018-07-11 12:39:04 -06:00
Stan Moore 5d13321425 Standardize suffix paragraph in fix_enforce2d.txt 2018-07-11 12:15:50 -06:00
Steven J. Plimpton acdc240cdd better rRESPA doc page, also a new Makefile.theta 2018-07-11 08:42:28 -06:00
Steve Plimpton 69baaaec16
Merge pull request #991 from akohlmey/collected-small-updates 
Collected small updates for the next patch release
 2018-07-11 07:50:31 -06:00
Axel Kohlmeyer 1f1447c3ac need to update exclusions with the new atom IDs in case of molecular systems 2018-07-11 07:22:47 -04:00
Trung Nguyen c3a32dde12 Updated doc/body.txt for body rounded/polygon and rounded/polyhedron 2018-07-11 00:21:49 -05:00
Trung Nguyen 5124c9e993 Fixed bugs in body rounded/polydedra for correct size_border 2018-07-10 16:53:26 -05:00
Axel Kohlmeyer 1ed25d195b convert c-style includes for c-library calls to c++-style 2018-07-10 09:48:49 -04:00
Axel Kohlmeyer 792b182cb0 whitespace cleanup 2018-07-10 09:46:08 -04:00
julient31 ade9b7bfc3 Commit2 JT 070918 
- modified the citeme reference (replaced by the JCP one)
- same modification in doc and src/SPIN
 2018-07-10 09:44:14 -04:00
julient31 9d5dc561ca Commit1 JT 070918 
- created README in examples/SPIN
- modified doc/src/set.txt to define 'spin' and 'spin/random' keywords
 2018-07-10 09:44:14 -04:00
Axel Kohlmeyer 199c96f985 update and clarify the choice of atom ids for angle style dipole (which is not really an angle potential) 2018-07-10 09:22:41 -04:00
Axel Kohlmeyer ad4f61a5ce update fatbin makefile for libgpu.a to latest additions 2018-07-10 09:07:54 -04:00
Steven J. Plimpton 13338bf8cb small changes to Trung body files 2018-07-09 16:15:15 -06:00
Stan Moore 0c1dcfb617 Favor copymode instead of cleanup_copy 2018-07-06 17:06:37 -06:00
Stefan Paquay db75232957 Removed debug print and comment. 2018-07-06 11:31:48 -04:00
Stefan Paquay 24405217d0 Updated Install.sh in KOKKOS. 2018-07-05 11:20:27 -04:00
Steven J. Plimpton a52ddf8759 patch 29Jun18 2018-06-30 08:03:24 -06:00
Steve Plimpton 0f71ed1fec
Merge pull request #983 from akohlmey/python-module-typo 
fix typo in python module
 2018-06-29 17:23:45 -06:00
Axel Kohlmeyer 43ffee980d fix typo in python module 2018-06-29 19:07:14 -04:00
Steve Plimpton 560b34aad0
Merge pull request #982 from lammps/doc-tweak-again 
couple more doc tweaks - sigh
 2018-06-29 16:35:46 -06:00
Steven J. Plimpton ea35235ca0 couple more doc tweaks - sigh 2018-06-29 16:12:25 -06:00
Steve Plimpton 474b59a1f3
Merge pull request #981 from lammps/latte-tweak 
fix glitch in ABIVERSION in fix latte
 2018-06-29 16:03:45 -06:00
Steve Plimpton c63d77d0b8
Merge pull request #980 from lammps/spin-doc 
added SPIN package to Section_packages doc
 2018-06-29 15:26:36 -06:00
Steven J. Plimpton bf9646cbbe fix glitch in ABIVERSION in fix latte 2018-06-29 15:08:19 -06:00