700bb2e0f4
Merge branch 'master' of github.com:lammps/lammps into kk_copycpu
2020-04-24 12:33:05 -06:00
0545de5137
clean up comments in fix_accelerate_cos.h
2020-04-24 20:23:14 +02:00
85f1cb6a63
Merge branch 'kk_compute_orientorder_atom' of ssh://github.com/stanmoore1/lammps into kk_compute_coord_atom
2020-04-24 12:22:42 -06:00
cf702c4b1a
fixed a type in README
2020-04-24 20:20:49 +02:00
9c081cf439
Update from master
2020-04-24 12:18:53 -06:00
4890c328d9
add comment to trigger jenkins rerun
2020-04-24 13:21:38 -04:00
08dc8e860e
Merge pull request #2022 from junghans/github-template-comments
...
github templates: turn comments in real comments
2020-04-24 13:18:40 -04:00
e114a8d15b
Revert accidental change
2020-04-24 10:14:31 -06:00
cb2a9e4329
Clear sharedsize for flat method
2020-04-24 10:10:22 -06:00
47b06cf541
github templates: turn comments in real comments
2020-04-24 09:51:13 -06:00
9266c74370
move fix_accelerate_cos and compute_viscosity_cos to USER-MISC
2020-04-24 15:30:20 +02:00
0bb41bf00b
Add ouput for the example for USER-VISCOSITY package
2020-04-24 14:41:03 +02:00
a30d4a6c6f
Add documents and minor fix for USER-VISCOSITY package
2020-04-24 14:41:03 +02:00
c7e4304ab6
add package and examples for viscosity calculation
2020-04-24 14:28:46 +02:00
7a366de0a9
Delete log.22Apr20.tiny_nylon.unstabilized.g++
2020-04-24 09:39:11 +02:00
5a9cc9e380
updated log files
2020-04-24 09:35:32 +02:00
68dd6d0f19
cmake: move kim-api detection to cmake config
2020-04-23 09:20:38 -06:00
1a286d5722
Fix repeat of same bug
2020-04-22 16:14:11 -05:00
623f03e322
cmake: add support for latte super-build
2020-04-22 14:21:34 -06:00
2493987875
Fix binning bug
2020-04-22 14:33:20 -05:00
fc10e885b2
make description of eflux as a variable less convoluted
2020-04-22 08:13:27 -04:00
73bf1874c5
update code owner entry for fix bond/react
2020-04-22 08:12:56 -04:00
e321719558
Merge branch 'master' of https://github.com/wverestek/lammps
2020-04-22 14:09:55 +02:00
34d73a3c67
wrong script.
2020-04-22 14:10:43 +02:00
1751a27ff6
removing example script from nylon melt and adding to tiny nylon
2020-04-22 14:07:11 +02:00
48ab70f9ee
avoid segfault when using compute_scalar() on the initial step and no scaling has yet been done.
2020-04-22 07:30:06 -04:00
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
5eccaecf9b
use #include <cstdint> now that we require C++11
2020-04-21 19:31:57 -04:00
db4c6e4056
update include file conventions since we no longer require C++98 for LAMMPS core files
2020-04-21 19:31:18 -04:00
0f9d8efe69
state in external Kokkos error message the version 3.1 or later is required
2020-04-21 12:50:27 -04:00
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
9f923c51f8
update singularity definition files for ubuntu variants to enable more LAMMPS build options and features
2020-04-21 12:07:34 -04:00
3c144600a5
update Kokkos related documentation for Kokkos 3.1 and refactor build info a bit
2020-04-21 11:46:16 -04:00
2348d6db62
use HOSTARCH/HOST instead of CPUARCH/CPU to better distinguish from GPUARCH/GPU
2020-04-21 08:30:16 -04:00
729646d7b5
update table of Kokkos supported archs and indicate HOST/GPU designation
2020-04-21 08:27:00 -04:00
2ac7bfc9cf
rephrase note about kernel JIT recompilation and Kepler vs. the rest compatibility
2020-04-21 08:26:01 -04:00
0711232e5b
Merge pull request #2000 from akohlmey/polymorphic-update
...
Update for pair style polymorphic from Xiaowang Zhou
2020-04-20 17:14:47 -04:00
0dfb1329be
we must not write out per-type pair cutoff when long-range LJ is enabled
2020-04-20 16:56:09 -04:00
1c15ba88f3
need to copy maxspecial and "extra" data to do a proper recreation
2020-04-20 15:27:30 -04:00
91153eaa1a
Added changes to support SMs setting charges in kim_interactions
2020-04-20 13:15:25 -05:00
dcc074215d
fix inconsistent memory allocate/free
2020-04-20 06:04:33 -04:00
42203bbc35
fix two more typos
2020-04-19 16:37:52 -04:00
a7391d1e36
small corrections/updates for the polymorphic pair style docs
2020-04-18 10:14:38 -04:00
1599d98425
Fixed the doc page for fix wall/body/polyhedron
2020-04-17 13:33:47 -05:00
d3498591f3
Merge branch 'master' of github.com:lammps/lammps into kk_3.1
2020-04-17 12:01:32 -06:00
822c396e3a
Work around Kokkos issue
2020-04-17 11:30:43 -06:00
ba66f05a04
some reformatting and minor cleanup of the documentation
2020-04-16 19:14:42 -04:00
42a59921f9
fix spelling issues
2020-04-16 19:04:26 -04:00
21e9db6bdf
Merge branch 'master' into polymorphic-update
2020-04-16 18:18:41 -04:00
4fa0186b68
update docs to cleanly translate
2020-04-16 18:17:38 -04:00
