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21335 Commits

Author SHA1 Message Date
Axel Kohlmeyer 6b783d31ad
fix spelling 2020-06-11 21:28:32 -04:00
Axel Kohlmeyer 219a3e4ce2
fix format (again) 2020-06-11 21:27:27 -04:00
Axel Kohlmeyer bb144f0d1b
Merge branch 'reset-ids-sort' into move-ubuf-to-lmptype 
# Conflicts:
#	src/reset_ids.h
 2020-06-11 20:12:37 -04:00
Axel Kohlmeyer 965ec37e80
whitespace/format fixes 2020-06-11 20:11:38 -04:00
Axel Kohlmeyer 1e8ef99fa7
use compile time tests instead of runtime checks for skipping 64bit tests on 32bit integers 2020-06-11 19:17:17 -04:00
Axel Kohlmeyer 9ca0d01a5b
silence compiler warnings 2020-06-11 19:05:06 -04:00
Axel Kohlmeyer a8c1ce98cf
remove trailing whitespace 2020-06-11 19:04:15 -04:00
Axel Kohlmeyer 6274234376
have a single union ubuf definition in lmptype.h and remove others 2020-06-11 18:37:31 -04:00
Axel Kohlmeyer 006f7956c1
Merge remote-tracking branch 'github/reset-ids-sort' into move-ubuf-to-lmptype 2020-06-11 18:11:51 -04:00
Axel Kohlmeyer fc9bbd4d06
Merge pull request #2121 from rbberger/gran-wall-store-contacts-fix 
Document and fix store_contacts in fix gran/wall and gran/wall/region
 2020-06-11 18:04:23 -04:00
Axel Kohlmeyer bdce720337
Merge pull request #2143 from lammps/hyper-eligible 
fix a bug with checking too early for ineligibilty for biasing
 2020-06-11 18:02:19 -04:00
Axel Kohlmeyer 9ca7091385
Merge pull request #2141 from akohlmey/kokkos-make-arch-case-insensitive 
Make kokkos configuration keywords with gmake case insensitive
 2020-06-11 17:20:43 -04:00
Axel Kohlmeyer 77a38c2a0a
remove (unsupported) reference to AMD Ryzen 2020-06-11 17:03:20 -04:00
Axel Kohlmeyer 9896d10d0c
whitespace cleanup 2020-06-11 16:52:38 -04:00
Axel Kohlmeyer d95859c73b
update hyperdynamics example log files 2020-06-11 16:52:30 -04:00
Axel Kohlmeyer 96a6afd42a
Merge pull request #2148 from akohlmey/kim-echo-log-refactor 
KIM package echo/log refactor and bugfix
 2020-06-11 16:46:41 -04:00
Axel Kohlmeyer 765b547a40
Merge pull request #2147 from stanmoore1/kk_sw 
Fix compile error with pair_sw_kokkos
 2020-06-11 16:20:03 -04:00
Richard Berger 3a5cdd384f
vector -> array 2020-06-11 14:51:36 -04:00
Axel Kohlmeyer 505cc1036f
refactor KIM package code for using {fmt} and std::string 2020-06-11 13:25:41 -04:00
Stan Moore 61d0592e6a Fix compile error with pair_sw_kokkos 2020-06-11 11:13:36 -06:00
Richard Berger 558b9201ac
Fix typo 2020-06-11 12:37:44 -04:00
Richard Berger e9a52a2b1b
More doc updates 2020-06-11 12:30:02 -04:00
Richard Berger b299601a41
Update fix_wall_gran docs 2020-06-11 12:22:55 -04:00
Richard Berger ff35f421ac
Don't store atom tag, just if there is a contact 2020-06-11 11:35:27 -04:00
Axel Kohlmeyer 7ace10238d
change interface to Input::write_echo() to accept const std::string 2020-06-11 10:23:44 -04:00
Steve Plimpton b287651ed6 fix a bug with checking too early for ineligibilty for biasing 2020-06-10 16:56:52 -06:00
Steve Plimpton e4d1068c70 flag a couple fixes and their derived clases as incompatible with resetting atom IDs 2020-06-10 16:47:55 -06:00
Steve Plimpton d02363b8fb adding a reset_ids sort option 2020-06-10 16:33:05 -06:00
Axel Kohlmeyer 64a4e5e21a
make kokkos configuration keywords in traditional build case insensitive 2020-06-10 15:53:09 -04:00
Richard Berger 6f78dd688a
Minor doc changes & rename store_contacts to contacts 2020-06-10 15:52:47 -04:00
Axel Kohlmeyer 71d3827cce
Merge pull request #2140 from stanmoore1/kk_depend 
Add missing Kokkos dependency
 2020-06-10 15:50:10 -04:00
Stan Moore 404516060d Add missing Kokkos dependency 2020-06-10 10:49:41 -06:00
Axel Kohlmeyer 0b7f58e674
Merge pull request #2137 from jtclemm/ptemp 
Adding new ptemp keyword to fix/nh
 2020-06-09 19:01:30 -04:00
Axel Kohlmeyer 2f5a8d0937
remove trailing whitespace 2020-06-09 17:28:26 -04:00
jtclemm 3ea39f5a23
Update fix_nh.rst 
Removed mbox commands
 2020-06-09 14:58:25 -06:00
Axel Kohlmeyer 833ebeb0a0
remove \mbox{} macros which are incompatible with `make pdf` 2020-06-09 16:42:26 -04:00
Axel Kohlmeyer c3831f8971
Merge pull request #2126 from vmohles/add-ECO-DF 
Add fix orient/eco to USER-MISC
 2020-06-09 16:41:07 -04:00
Axel Kohlmeyer 32984cb8c4
add reference to LAMMPS slack 2020-06-09 16:06:47 -04:00
Axel Kohlmeyer 1221906ed9
fix whitespace issues 2020-06-09 15:14:49 -04:00
Axel Kohlmeyer ecc142229d
update outputs again 2020-06-09 15:09:45 -04:00
Axel Kohlmeyer fa07f64b81
add missing linefeed 2020-06-09 15:06:13 -04:00
Axel Kohlmeyer 999ed36e6a
update log files for new version 2020-06-09 15:04:53 -04:00
Axel Kohlmeyer bb5b931d78
Merge remote-tracking branch 'github/master' into add-ECO-DF 2020-06-09 14:55:40 -04:00
Axel Kohlmeyer 89fb194f51
update to fix orient/eco from the authors 2020-06-09 14:55:31 -04:00
Axel Kohlmeyer 719936580a
Merge pull request #2135 from akohlmey/cmake-legacy-gpu-conflict 
Handle conflict between conventional build and CMake build in lib/gpu
 2020-06-09 14:26:42 -04:00
jtclemm 4c6c4ac405
Update fix_nh.rst 
Adding linebreaks for legibility
 2020-06-09 12:20:21 -06:00
Richard Berger e47d48eed8
Change output message and use list(APPEND) 2020-06-09 12:10:35 -04:00
Richard Berger 954f728225
Always set CMAKE_LIBRARY_PATH if environment variable LIBRARY_PATH is set 
This resolves issues such as CUDA_CUDA_LIBRARY NOTFOUND if LIBRARY_PATH is
set to the CUDA stubs folder, but ignored by CMake.
 2020-06-09 11:30:54 -04:00
Axel Kohlmeyer 2010cf97a9
add documentation for the cubin header check and explain the reason 2020-06-09 07:41:18 -04:00
Axel Kohlmeyer 78f030a07a
test for *cubin.h files in lib/gpu that conflict with cmake compilation 2020-06-09 07:32:49 -04:00