1aeecfb0cf
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
# Resolved Conflicts:
# doc/Manual.txt
# doc/pair_reax.html
# src/USER-PHONON/fix_phonon.cpp
2015-12-16 07:31:09 -05:00
8dff51d5c9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14377 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 23:48:11 +00:00
9e3b61d926
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14376 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 23:32:24 +00:00
f3af23a41b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14375 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 23:31:16 +00:00
ead53bc9e7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14373 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 22:33:45 +00:00
0939eb1ee9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 22:30:45 +00:00
b5a1ba9bfa
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14371 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 22:29:37 +00:00
06a217aa08
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14370 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 22:26:37 +00:00
31f22919ab
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14369 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 16:03:53 +00:00
9f38620e13
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14368 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 16:01:54 +00:00
074d5962c8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14367 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 15:59:11 +00:00
5f802f86b5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14366 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 15:59:01 +00:00
75de12f26a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14365 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 15:49:29 +00:00
5568b56ef2
add check to fix SRP to print a warning, if it is pre-empted by other fixes
2015-12-15 08:59:18 -05:00
8621a02d08
incorporate workaround from christian for gcc 5.1 bug
2015-12-14 23:57:20 -05:00
e4897f9c72
honor LAMMPS_POTENTIALS consistently in COMB3
2015-12-14 17:21:05 -05:00
1713cdacf0
remove unused variable
2015-12-12 08:06:40 -05:00
9195c252ee
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2015-12-12 08:04:57 -05:00
9b01eec436
no need for atom types in coul/wolf/kk and coul/dsf/kk pair styles
2015-12-12 00:33:46 -05:00
6c5580af02
update makefile to be KOKKOS compatible
2015-12-12 00:04:52 -05:00
06370a8d7a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14363 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-11 23:33:38 +00:00
b7b610f3b9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14362 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-11 23:33:06 +00:00
4e835935c6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14361 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-11 23:32:49 +00:00
aecaf0bf52
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14360 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-11 23:29:44 +00:00
921bcfb12d
Allowed non-full_energy with triclinic
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14359 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-11 23:15:38 +00:00
762f48e528
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14358 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-11 22:20:11 +00:00
fc239af397
silence compiler warnings. the code is correct.
2015-12-11 10:56:23 -05:00
4b7c095054
update permissions
2015-12-11 10:56:05 -05:00
3f82c0f504
silence compiler warnings
2015-12-11 10:55:55 -05:00
de060a56ad
Merge branch 'merge-pull-22' into lammps-icms
2015-12-11 07:35:04 -05:00
5affb6c013
Merge branch 'master' into lammps-icms
...
# Resolved Conflicts:
# doc/Manual.html
# doc/Manual.txt
# doc/pair_hybrid.txt
# doc/pair_reax.html
# doc/pair_reax.txt
# doc/pair_reax_c.txt
# src/MANYBODY/pair_polymorphic.cpp
2015-12-11 07:33:14 -05:00
526e5b7464
Merge branch 'pull-requests' of git://github.com/crtrott/lammps into merge-pull-22
2015-12-11 07:24:11 -05:00
3b6a3f4e55
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14357 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-10 22:38:44 +00:00
441eeca80b
Kokkos: put the LAMMPS specific settings into Makefile.kokkos
2015-12-10 15:23:52 -07:00
91a791bbb3
Snapshot of kokkos.git from commit 0a776f65e7429b875839719c4fe528c15e871e46
...
From repository at git@github.com:/kokkos/kokkos.git
At commit:
commit 0a776f65e7429b875839719c4fe528c15e871e46
Author: crtrott <crtrott@sandia.gov>
Date: Thu Dec 10 11:51:50 2015 -0700
Adding CUDA 7.5 as secondary compiler to README
2015-12-10 11:52:34 -07:00
4099f540dd
Fix an issue with usage of isfinite
...
Depending on whether one includes <math.h> or <cmath> isfinite lives
in the global or in the std namespace, or in both. When compiling with
Kokkos <cmath> gets included, which no matter whether <math.h> gets
included before or after removes with some compilers isfinite from the
global namespace. Probably because it defines include guards, and it
undefines the isfinite macro which is defined in math.h.
This is a general issue in lammps where typically the C-header files are
used instead of the C++ header files. It might be worthwhile to think about
changing that.
The fix in this case is to replace isfinite with a Macro ISFINITE which is
appropriately defined.
2015-12-10 11:48:05 -07:00
c57fc903cf
Kokkos: fix an issue with usage of DualView
2015-12-10 11:47:26 -07:00
4c1ad17581
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14354 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-10 17:44:45 +00:00
d94f71a6a8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14352 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-10 17:42:14 +00:00
2cf6305dc1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14351 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-10 17:40:52 +00:00
03a9006979
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14350 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-10 17:38:13 +00:00
28bf73fbf7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14349 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-10 17:23:56 +00:00
8550cacf18
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14348 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-10 17:07:56 +00:00
86a4507b00
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14347 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-10 16:55:37 +00:00
807e00de93
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14346 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-10 16:54:13 +00:00
59e5d36671
Fixing region issue
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14343 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-10 16:04:31 +00:00
b2a75f111c
transfer updates from angle style dipole to dipole/omp
2015-12-10 07:23:19 -05:00
e7d896a459
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
# Resolved Conflicts:
# doc/Manual.txt
# doc/improper_distance.txt
# doc/pair_mdf.txt
# python/lammps.py
# src/MANYBODY/pair_polymorphic.cpp
# src/MANYBODY/pair_polymorphic.h
2015-12-10 06:29:32 -05:00
760071bb4c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14342 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-09 23:57:59 +00:00
0dcabb7080
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14340 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-09 23:29:22 +00:00
