Commits · 5281dea65147c7b040bf3eeb53720f5b65fbcf9a · 郑智淋 / lammps · GitLab

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May 21, 2020
- Merge pull request #2095 from stanmoore1/kk_snap_beta · 5281dea6
  Axel Kohlmeyer authored May 20, 2020
  5281dea6
- Merge pull request #2094 from akohlmey/collected-small-changes · 58ca1dcf
  Axel Kohlmeyer authored May 20, 2020
  58ca1dcf
- Merge pull request #2093 from junghans/lammps_cleanup · c50bd25d
  Axel Kohlmeyer authored May 20, 2020
  c50bd25d
May 20, 2020
- OpenMPI's "sm" transport layer has gone from some newer versions. use "tcp" as... · 5827f69d
  Axel Kohlmeyer authored May 19, 2020
  5827f69d
- consolidate setting CMake policy CMP0074 into main cmake file · 48a9e0d7
  Axel Kohlmeyer authored May 19, 2020
  
  48a9e0d7
May 19, 2020
- update test for whether to set CMake policy CMP0074 is needed. · 16db223d
  Axel Kohlmeyer authored May 19, 2020
  
  16db223d
- reintroduce bugfix for bessel function distributed random numbers · ffaa77af
  Axel Kohlmeyer authored May 19, 2020
  
  ffaa77af
- add support for extracting r0 array to bond style zero · 4ac7a26f
  Axel Kohlmeyer authored May 18, 2020
  
  4ac7a26f
- the first argument to Bond::extract() should be `const char *` not `char *`. · 6b1dbe23
  Axel Kohlmeyer authored May 18, 2020
  
  6b1dbe23
- need to set CMake policy CMP0074 to NEW behavior also for finding TBB Malloc · 93fe3355
  Axel Kohlmeyer authored May 18, 2020
  
  93fe3355
- avoid segfault with eam/intel when using it with a hybrid pair style · 8395ec9e
  Axel Kohlmeyer authored May 18, 2020
  
  8395ec9e
May 18, 2020
- Fix redundant computation in SNAP on GPUs · c67ca88b
  Stan Moore authored May 18, 2020
  
  c67ca88b
May 16, 2020
- add missing coulomb tabulation to pair style lj/class2/coul/long · 9ed2824d
  Axel Kohlmeyer authored May 15, 2020
  
  9ed2824d
- silence compiler warning · dc74fac4
  Axel Kohlmeyer authored May 15, 2020
  
  dc74fac4
- drop fftw_cleanup() completely · fa7319e6
  Christoph Junghans authored May 15, 2020
  
  fa7319e6
- Merge pull request #2091 from stanmoore1/kk_summit · b1ee9ad1
  Axel Kohlmeyer authored May 15, 2020
  b1ee9ad1
- Merge pull request #2092 from lammps/omega-angmom · d39457e4
  Axel Kohlmeyer authored May 15, 2020
  d39457e4
- cmake: fftw is now a private dep · 6f0a56c1
  Christoph Junghans authored May 15, 2020
  
  6f0a56c1
- move fftw_cleanup() into LAMMPS::cleanup() · 58b304be
  Christoph Junghans authored May 15, 2020
  
  58b304be
- initialze omega and angmom when read data file · f1a9eab5
  Steve Plimpton authored May 15, 2020
  
  f1a9eab5
- Rename Kokkos Makefile · 1d52e7f2
  Stan Moore authored May 15, 2020
  
  1d52e7f2
May 15, 2020
- fix bug in USER-OMP with "pair_modify compute no" and "kspace_modify compute no" · 37442ca5
  Axel Kohlmeyer authored May 15, 2020
  
  37442ca5
- Do not use -ffast-math by default. Too large a chance of miscompiled code. · e36d2ce3
  Axel Kohlmeyer authored May 14, 2020
  
  e36d2ce3
- dihedral base class did not initialize suffix_flag member. · 87c34fb1
  Axel Kohlmeyer authored May 14, 2020
  
  87c34fb1
May 12, 2020
- Merge pull request #2082 from stanmoore1/kk_bigint · 20ad924a
  Axel Kohlmeyer authored May 11, 2020
  20ad924a
- Merge pull request #2080 from akohlmey/collected-small-changes · 040cbe37
  Axel Kohlmeyer authored May 11, 2020
  040cbe37
- simplify · 3d018698
  Axel Kohlmeyer authored May 11, 2020
  
  3d018698
- update Kokkos related documentation about JIT compilation and UVM. · a6cfe8f6
  Axel Kohlmeyer authored May 11, 2020
  
  a6cfe8f6
- Merge pull request #2074 from akohlmey/singularity-update · af1aa034
  Axel Kohlmeyer authored May 11, 2020
  af1aa034
- Fix 32-bit integer overflow in Kokkos neighlist build · b1ac51f7
  Stan Moore authored May 11, 2020
  
  b1ac51f7
- fix "use of class after delete" bug · 23c55b00
  Axel Kohlmeyer authored May 11, 2020
  
  23c55b00
- improve readability · 0ab3ebba
  Axel Kohlmeyer authored May 11, 2020
  
  0ab3ebba
May 11, 2020
- elimitate nthreads member, change threads from int to bool and determine... · 822c7c5c
  Axel Kohlmeyer authored May 11, 2020
  822c7c5c
- Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes · 8228cc89
  Axel Kohlmeyer authored May 10, 2020
  8228cc89
- a new communicator should have a different number than the old · 6e536087
  Axel Kohlmeyer authored May 10, 2020
  
  6e536087
- don't use C++ style comments in C code · 4ee5eee7
  Axel Kohlmeyer authored May 10, 2020
  
  4ee5eee7
- define _noopt macro with -D_FORTIFY_SOURCE to be empty to avoid false positives · afd76931
  Axel Kohlmeyer authored May 10, 2020
  
  afd76931
- fix issues in AtomVec refactoring detected by compiler warnings · 987bff27
  Axel Kohlmeyer authored May 10, 2020
  
  987bff27
May 10, 2020
- fix issues in AtomVec refactoring detected by compiler warnings · 873a638c
  Axel Kohlmeyer authored May 09, 2020
  
  873a638c
May 09, 2020
- Merge pull request #2077 from rbberger/cmake-fixes · b799e44e
  Axel Kohlmeyer authored May 08, 2020
  b799e44e

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