jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
20,423 Commits 9 Branches 198 Tags 1.1 GiB
Commit Graph

20423 Commits

Author SHA1 Message Date
Christoph Junghans 9e563da3eb USER-PLUMED.cmake: use imported targets 2020-04-02 11:38:18 -06:00
Axel Kohlmeyer 9397e11c6f
fix issue in README file 2020-04-02 13:29:37 -04:00
Axel Kohlmeyer 96a3ede4f4
Merge remote-tracking branch 'github/master' into collected-small-changes 2020-04-02 13:29:28 -04:00
Axel Kohlmeyer a68656567f
Merge pull request #1975 from rbberger/more_singularity_containers 
More Singularity container definitions
 2020-04-02 10:56:13 -04:00
Axel Kohlmeyer 96202ccf56
remove trailing whitespace 2020-04-01 20:27:43 -04:00
Axel Kohlmeyer eb955b44f8
Merge branch 'master' into collected-small-changes 2020-04-01 20:26:02 -04:00
Axel Kohlmeyer 2de7e90e58
add Fedora 30 definition and update README file 2020-04-01 20:21:30 -04:00
Axel Kohlmeyer 927b1b05e5
ignore singularity container files in the entire repo 2020-04-01 20:08:00 -04:00
Richard Berger 0cf48c37e1 Add NVIDIA Singularity container 2020-04-01 17:41:40 -04:00
Richard Berger 03988a9048 Add ROCm Singularity container 2020-04-01 17:29:07 -04:00
Richard Berger ccdf010ef0 Add Intel OpenCL Singularity container 2020-04-01 17:08:40 -04:00
Richard Berger dbdce3946b Update/Sync singularity container definition for Ubuntu 18.04 2020-04-01 16:35:00 -04:00
Axel Kohlmeyer 13da503704
Merge pull request #1974 from stanmoore1/makefile 
Fix MPI environment variable issue in Makefile.kokkos
 2020-04-01 14:06:13 -04:00
Axel Kohlmeyer e1924c6064
Merge pull request #1969 from stanmoore1/team_size 
Work around team_size issue in npair_kokkos
 2020-04-01 14:03:32 -04:00
Axel Kohlmeyer fd44f80022
Merge pull request #1973 from evoyiatzis/ext-fix-adapt 
Small extension of bonds supported by fix adapt
 2020-04-01 14:02:02 -04:00
Christoph Junghans a4a4562b03 KIM.cmake: remove _KIM_LIBDIR workaround 2020-04-01 11:56:34 -06:00
Christoph Junghans 0358e9c4c9 KIM.cmake: switch to imported targets 2020-04-01 11:46:01 -06:00
Christoph Junghans e5c5645520 MSCG.cmake: create imported target for downloaded mscg 2020-04-01 10:36:07 -06:00
Christoph Junghans 7059996356 USER-SCAFACOS.cmake: use imported target for downloaded scafacos 2020-04-01 09:02:51 -06:00
Stan Moore 72200a9958 Fix MPI environment variable issue in Makefile.kokkos 2020-04-01 08:57:18 -06:00
Christoph Junghans 9574a18a73 USER-SMD.cmake: use imported target for downloaded eigen3 2020-04-01 08:09:56 -06:00
Christoph Junghans 22b90413d5 LATTE.cmake: create and use imported target 2020-04-01 07:27:58 -06:00
Evangelos Voyiatzis 08e81d6a36
Update bond_fene.cpp 2020-04-01 15:15:52 +02:00
Evangelos Voyiatzis e93920bb5d
Update bond_nonlinear.cpp 2020-04-01 15:15:25 +02:00
Evangelos Voyiatzis ba81e6a955
Update bond_morse.cpp 2020-04-01 15:15:00 +02:00
Evangelos Voyiatzis 1157a2a4c2
Update bond_class2.cpp 2020-04-01 15:14:21 +02:00
Evangelos Voyiatzis 596ec06960
Update fix_adapt.rst 2020-04-01 15:01:34 +02:00
Evangelos Voyiatzis ef112be870
Update bond_nonlinear.cpp 2020-04-01 14:54:17 +02:00
Evangelos Voyiatzis d0c1b7ea08
Update bond_nonlinear.h 2020-04-01 14:52:41 +02:00
Evangelos Voyiatzis 9446f8f780
Update bond_fene.cpp 2020-04-01 14:51:23 +02:00
Evangelos Voyiatzis bd7deebca2
Update bond_fene.h 2020-04-01 14:50:32 +02:00
Evangelos Voyiatzis 5bc7a24479
Update bond_class2.cpp 2020-04-01 14:49:04 +02:00
Evangelos Voyiatzis 566e110e42
Update bond_class2.h 2020-04-01 14:48:13 +02:00
Evangelos Voyiatzis 494750b426
Update bond_morse.cpp 2020-04-01 14:46:52 +02:00
Evangelos Voyiatzis c472f38f5f
Update bond_morse.h 2020-04-01 14:44:54 +02:00
Christoph Junghans 4202b4649b KOKKOS.cmake: create imported target for internal kokkos 2020-03-31 20:36:26 -06:00
Christoph Junghans 2f4571e31d VORONOI.cmake: create imported target for internal voro 2020-03-31 20:00:17 -06:00
Christoph Junghans b645800537 cmake: mark MPI::MPI_CXX global 2020-03-31 19:59:33 -06:00
Christoph Junghans 099880e91b cmake: add missing size defines 2020-03-31 16:35:28 -06:00
Christoph Junghans 53ce24fac1 cmake: remove LAMMPS_USE_MPI4WIN hacks 2020-03-31 16:12:16 -06:00
Christoph Junghans 041941ed81 MPI4WIN.cmake: remove duplicated -D 2020-03-31 15:37:39 -06:00
Christoph Junghans 05ecda3748 cmake: try to fix MPI4WIN build 2020-03-31 15:06:40 -06:00
Christoph Junghans ef0df90b48 Merge branch 'master' into cmake_clean_up 2020-03-31 14:42:28 -06:00
Axel Kohlmeyer fbac800b75
Merge pull request #1968 from junghans/cmake_kokkos_3 
cmake: fix up kokkos-3.0 update
 2020-03-31 16:29:44 -04:00
Christoph Junghans 119ba61c09 cmake: fix MPI linkage 2020-03-31 08:23:59 -06:00
Stan Moore 3ba83de700 Work around team_size issue in npair_kokkos 2020-03-30 16:26:46 -06:00
Christoph Junghans cfd8ea1e36
KOKKOS.cmake: added missing default. 2020-03-30 13:53:26 -06:00
Christoph Junghans 1ceb335059
KOKKOS.cmake: make doc more clear 2020-03-30 12:29:19 -06:00
Christoph Junghans 802909386b
KOKKOS.cmake: fix a typo 2020-03-30 12:28:24 -06:00
Christoph Junghans dd7cb2b770 cmake: fix up kokkos-3.0 update 2020-03-30 11:51:30 -06:00