|
|
73e766b933
|
Remove another unneeded class
|
2020-05-20 01:30:34 -04:00 |
|
|
|
50d4cf210c
|
Remove unnecessary classes
|
2020-05-19 23:37:11 -04:00 |
|
|
|
c0acb3a438
|
Remove multiple definitions of STRINGIFY
|
2020-05-19 23:15:22 -04:00 |
|
|
|
c04a71a239
|
add unit test framework for pair, bond, angle styles from progguide branch
|
2020-05-19 22:24:31 -04:00 |
|
|
|
1517daeaed
|
add support for extracting r0 array to bond style zero
|
2020-05-19 21:54:50 -04:00 |
|
|
|
16ce10aefc
|
the first argument to Bond::extract() should be const char * not char *.
|
2020-05-19 21:54:31 -04:00 |
|
|
|
b1ee9ad1fe
|
Merge pull request #2091 from stanmoore1/kk_summit
Rename Kokkos Makefile
|
2020-05-15 17:39:53 -04:00 |
|
|
|
d39457e46e
|
Merge pull request #2092 from lammps/omega-angmom
Initialize omega and angmom when reading a data file
|
2020-05-15 17:20:54 -04:00 |
|
|
|
f1a9eab5da
|
initialze omega and angmom when read data file
|
2020-05-15 13:07:34 -06:00 |
|
|
|
1d52e7f243
|
Rename Kokkos Makefile
|
2020-05-15 12:19:16 -06:00 |
|
|
|
20ad924a54
|
Merge pull request #2082 from stanmoore1/kk_bigint
Fix 32-bit integer overflow in Kokkos neighlist build on GPUs
|
2020-05-11 20:55:14 -04:00 |
|
|
|
040cbe378c
|
Merge pull request #2080 from akohlmey/collected-small-changes
Collected small changes for the next patch release
|
2020-05-11 20:37:59 -04:00 |
|
|
|
3d0186987d
|
simplify
|
2020-05-11 18:31:07 -04:00 |
|
|
|
a6cfe8f642
|
update Kokkos related documentation about JIT compilation and UVM.
|
2020-05-11 18:07:51 -04:00 |
|
|
|
af1aa03446
|
Merge pull request #2074 from akohlmey/singularity-update
Updates for singularity definition files
|
2020-05-11 17:44:14 -04:00 |
|
|
|
b1ac51f721
|
Fix 32-bit integer overflow in Kokkos neighlist build
|
2020-05-11 15:11:24 -06:00 |
|
|
|
23c55b0046
|
fix "use of class after delete" bug
|
2020-05-11 16:23:04 -04:00 |
|
|
|
0ab3ebbac0
|
improve readability
|
2020-05-11 13:31:47 -04:00 |
|
|
|
822c7c5ca1
|
elimitate nthreads member, change threads from int to bool and determine number of threads dynamically
this fixes #2081
|
2020-05-11 10:57:27 -04:00 |
|
|
|
8228cc8987
|
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
# Conflicts:
# src/atom_vec.cpp
|
2020-05-10 14:09:31 -04:00 |
|
|
|
6e53608789
|
a new communicator should have a different number than the old
|
2020-05-10 14:08:54 -04:00 |
|
|
|
4ee5eee7cb
|
don't use C++ style comments in C code
|
2020-05-10 14:08:06 -04:00 |
|
|
|
afd769314b
|
define _noopt macro with -D_FORTIFY_SOURCE to be empty to avoid false positives
|
2020-05-10 14:06:56 -04:00 |
|
|
|
987bff27d4
|
fix issues in AtomVec refactoring detected by compiler warnings
|
2020-05-10 14:05:32 -04:00 |
|
|
|
873a638cc3
|
fix issues in AtomVec refactoring detected by compiler warnings
|
2020-05-09 19:45:28 -04:00 |
|
|
|
b799e44e5c
|
Merge pull request #2077 from rbberger/cmake-fixes
Fix issue when generating lmpgitversion.h
|
2020-05-08 16:57:33 -04:00 |
|
|
|
cbd4ce5130
|
Use absolute path to LAMMPS_DIR for collecting git info
|
2020-05-08 16:04:55 -04:00 |
|
|
|
06737ce7a7
|
Merge pull request #1788 from lammps/atomvec-custom
Refactoring of AtomVec class
|
2020-05-08 15:18:11 -04:00 |
|
|
|
6b7e0df7f2
|
Merge pull request #2073 from ndtrung81/gpu-triclinic
GPU package pair styles to support neighbor list builds on the GPU with triclinic boxes
|
2020-05-08 14:29:55 -04:00 |
|
|
|
366d3fe249
|
update .gitignore and Purge.list
|
2020-05-08 14:09:59 -04:00 |
|
|
|
9004b47251
|
remove trailing whitespace
|
2020-05-08 01:33:16 -04:00 |
|
|
|
eefeaf4d25
|
make OpenMPI only use shared memory comm by default and silence some warnings
|
2020-05-07 18:15:57 -04:00 |
|
|
|
18c77db8c3
|
Add Kokkos vel methods
|
2020-05-07 15:16:17 -06:00 |
|
|
|
095801e1d6
|
Merge pull request #2071 from wmbrownIntel/wmb_mf_cleanup
Partial Cleanup of Conventional Build Makefiles.
|
2020-05-07 17:02:28 -04:00 |
|
|
|
d7650e8e02
|
no need to include googletest libs, we download and compile internally
|
2020-05-07 17:02:04 -04:00 |
|
|
|
5db1e4fe8d
|
Initialize variables since Kokkos doesn't call setup_fields
|
2020-05-07 13:19:12 -06:00 |
|
|
|
3b77546eb9
|
Merge pull request #2069 from junghans/latte_v1.2.2
latte: bump to v1.2.2
|
2020-05-07 14:27:19 -04:00 |
|
|
|
5fa7e138ea
|
Merge pull request #2070 from junghans/kokkos_v3.1.01
cmake: bump kokkos to v3.1.01
|
2020-05-07 14:16:56 -04:00 |
|
|
|
d69009ac45
|
Fix pointer delete issue with Kokkos package
|
2020-05-07 11:10:09 -06:00 |
|
|
|
cc18177153
|
Whitespace cleanup
|
2020-05-07 10:46:32 -06:00 |
|
|
|
3a23a97f64
|
Merge branch 'atomvec-custom' of github.com:lammps/lammps into atomvec-custom
|
2020-05-07 10:42:50 -06:00 |
|
|
|
71149768c6
|
fix atom_vec_hybrid bug
|
2020-05-07 10:42:40 -06:00 |
|
|
|
2b9a1a6982
|
Fix Kokkos runtime issue with special bonds
|
2020-05-07 10:35:08 -06:00 |
|
|
|
69a6a8e064
|
pull in kokkos-3.1.01
|
2020-05-07 10:22:42 -06:00 |
|
|
|
8ed5829d32
|
Merge branch 'atomvec-custom' of github.com:lammps/lammps into atomvec-custom
|
2020-05-06 16:25:22 -06:00 |
|
|
|
25632992f4
|
updates to USER-SPH example scripts
|
2020-05-06 16:25:07 -06:00 |
|
|
|
8301c7a9c6
|
Merge branch 'master' of ssh://github.com/lammps/lammps into atomvec-custom
|
2020-05-06 15:53:21 -06:00 |
|
|
|
7d9091cacc
|
Add back in old hybrid functions, needed by Kokkos package
|
2020-05-06 15:49:44 -06:00 |
|
|
|
9e7765064c
|
Merge branch 'atomvec-custom' of github.com:lammps/lammps into atomvec-custom
|
2020-05-06 15:28:41 -06:00 |
|
|
|
1225f7d1e0
|
small changes to examples scripts for regression purposes
|
2020-05-06 15:28:27 -06:00 |
|
