|
|
6679469220
|
USER-MANIFOLD: Use TAGINT_FORMAT where appropriate
|
2019-04-04 15:52:57 +03:00 |
|
|
|
da77dde04d
|
MC/fix_bond_break: Use TAGINT_FORMAT where appropriate
|
2019-04-04 14:51:40 +03:00 |
|
|
|
6ff1fee6d6
|
more simplifications
|
2019-04-04 09:54:39 +02:00 |
|
|
|
619c2322e5
|
Merge remote-tracking branch 'upstream/master' into fix-elstop
|
2019-04-04 10:03:36 +03:00 |
|
|
|
0d78c7b43d
|
fix elstop: Rename to fix electron/stopping
|
2019-04-04 09:57:15 +03:00 |
|
|
|
8820467a8b
|
fix wrong column size assignment bug when using optional arguments in some local computes
|
2019-04-03 15:15:40 -04:00 |
|
|
|
d4a495151e
|
Simplify access to error in reax/c/omp
|
2019-04-03 19:40:40 +02:00 |
|
|
|
501558743b
|
Merge with current master
|
2019-04-03 19:17:15 +02:00 |
|
|
|
d7a5bf4e16
|
Repair last commit
|
2019-04-03 18:52:14 +02:00 |
|
|
|
1a105253c1
|
Check the MPI rank differently
|
2019-04-03 18:24:38 +02:00 |
|
|
|
f2f49e60bf
|
Make some errors more elaborate + change some error->all to error->one
|
2019-04-03 18:12:12 +02:00 |
|
|
|
f17aff6331
|
add some missing entries to src/USER-MISC/README
|
2019-04-03 00:24:36 -04:00 |
|
|
|
537704fdaa
|
eliminate the use of the "using" keyword in headers of the KOKKOS package
|
2019-04-03 00:13:52 -04:00 |
|
|
|
52a13f31b3
|
remove "using namespace" from header
|
2019-04-03 00:04:12 -04:00 |
|
|
|
f02b364e6e
|
remove "using namespace" from header and include required header
|
2019-04-03 00:03:34 -04:00 |
|
|
|
40f1662c93
|
reduce compiler warnings
|
2019-04-02 23:44:00 -04:00 |
|
|
|
6cb120d691
|
get rid of "using" in USER-REAXC header
|
2019-04-02 23:20:53 -04:00 |
|
|
|
365166fef0
|
print warning messages about calls to self only once
|
2019-04-02 16:01:42 -04:00 |
|
|
|
3eab343821
|
give access to LAMMPS object and wrap in macros for optional exception handling
|
2019-04-02 11:49:08 -04:00 |
|
|
|
fd7c680654
|
the lammps_gather_atom*() and lammps_scatter_atom() library functions are not compatible with -DLAMMPS_BIGBIG. divert to dummy functions resulting in error exists.
|
2019-04-02 11:39:46 -04:00 |
|
|
|
d1cb8970d5
|
fix elstop: Remove unused includes
|
2019-04-02 09:29:27 +03:00 |
|
|
|
719a74a02f
|
must include omp.h header when using OpenMP API functions
|
2019-04-01 22:10:55 -04:00 |
|
|
|
35129c0881
|
posix_memalign() does not exist on windows, so we have to workaround using it with USER-INTEL
|
2019-04-01 17:51:53 -04:00 |
|
|
|
d5aa60dbfe
|
skip inline function optimizations for windows when compiling with mingw
|
2019-04-01 17:23:27 -04:00 |
|
|
|
799c16a8b2
|
restore a removed check + print some warnings only once
|
2019-04-01 17:04:09 +02:00 |
|
|
|
adbc64b45e
|
Cleaning includes + changing error->all to error->one
|
2019-04-01 16:34:34 +02:00 |
|
|
|
2e7316a9e3
|
fix another windows portability issue in USER-PTM by adding missing header include
|
2019-04-01 08:11:22 -04:00 |
|
|
|
a8e5af3cb4
|
fix elstop: Inline kinetic energy computation
|
2019-04-01 12:59:25 +03:00 |
|
|
|
74489621c4
|
correct misleading indentation to follow syntax
|
2019-03-30 22:35:41 -04:00 |
|
|
|
560ccb2719
|
Merge pull request #1387 from akohlmey/next-patch-release
Step version string for next patch release
|
2019-03-29 14:25:45 -04:00 |
|
|
|
ff7f129a5d
|
remove trailing whitespace
|
2019-03-29 11:37:26 -04:00 |
|
|
|
17cd650622
|
Merge branch 'master' into collected-small-changes
|
2019-03-29 11:35:15 -04:00 |
|
|
|
677753731f
|
Merge pull request #1395 from vishalkenchan/fix_unset_variable
Set Coulomb summation cutoff radii when it is explicitly specified
|
2019-03-29 10:37:29 -04:00 |
|
|
|
30929d95e2
|
Merge pull request #1342 from dsbolin/gran_mods
New generalized granular pair style added
|
2019-03-29 10:37:07 -04:00 |
|
|
|
ff819be807
|
more 'war on tabs'
|
2019-03-29 10:21:44 -04:00 |
|
|
|
13255d6338
|
step version to 29 March 2019
|
2019-03-29 09:20:33 -04:00 |
|
|
|
6a60dad2c3
|
Set Coulomb summation cutoff radii in the case it is explicitly specified.
|
2019-03-29 10:02:15 +01:00 |
|
|
|
088a672196
|
replace (evil) tabs with (nice) spaces
|
2019-03-28 16:20:57 -04:00 |
|
|
|
93f531441a
|
Merge pull request #1388 from lammps/tiled-bug
bug fix for tiled communication at cutoffs near box size
|
2019-03-28 13:45:41 -04:00 |
|
|
|
d71d12d2de
|
Merge pull request #1391 from akohlmey/more-small-changes
Error out when per-atom stress is requested for USER-INTEL styles
|
2019-03-28 13:45:10 -04:00 |
|
|
|
4aff7191e7
|
small whitespace cleanup
|
2019-03-28 13:02:14 -04:00 |
|
|
|
16f66dc561
|
error out when per-atom stress is requested for bonded interactions with USER-INTEL
|
2019-03-28 12:38:41 -04:00 |
|
|
|
61483da58b
|
error out when per-atom stress is requested
|
2019-03-28 12:25:40 -04:00 |
|
|
|
ab12a7c95b
|
use consistent constants from math_const.h and fast integer powers from math_special
|
2019-03-28 11:58:04 -04:00 |
|
|
|
196b8c6eab
|
Fix typos in error checking
|
2019-03-28 11:53:32 -04:00 |
|
|
|
b9bddd7ba6
|
use ev_init() and add some more cosmetic changes to pair granular
|
2019-03-28 11:47:41 -04:00 |
|
|
|
2fa6e913ef
|
Merge branch 'master' into gran_mods
|
2019-03-28 11:46:44 -04:00 |
|
|
|
3cc740b9d3
|
handle granular specific pair style flags consistently and make sure they are never accessed uninitialized
|
2019-03-28 11:46:04 -04:00 |
|
|
|
03ee03c043
|
remove set but unused flag
|
2019-03-28 11:44:50 -04:00 |
|
|
|
5d7c52e114
|
clean up whitespace issues caused by commit 5210c4c3a4
|
2019-03-28 11:23:37 -04:00 |
|
