Commits · 0f28e0eb0f3da114c58f53c53cf37e1e6dbd0511 · 郑智淋 / lammps · GitLab

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Apr 28, 2020
- Merge pull request #2030 from lammps/revert-2018-cmake_kim-api_find · 0f28e0eb
  Axel Kohlmeyer authored Apr 27, 2020
  0f28e0eb
- Merge pull request #2026 from ndtrung81/ellipsoid-gpu-special-bonds · 121b40eb
  Axel Kohlmeyer authored Apr 27, 2020
  121b40eb
- Merge pull request #2027 from junghans/cmake_clean_up_plumed · d4c06a2e
  Axel Kohlmeyer authored Apr 27, 2020
  d4c06a2e
- Merge pull request #2032 from akohlmey/change-box-image-flags · f9b873db
  Axel Kohlmeyer authored Apr 27, 2020
  f9b873db
Apr 27, 2020
- fix typo in MPI_Allreduce call. · 73ec2d81
  Axel Kohlmeyer authored Apr 27, 2020
  
  73ec2d81
- document the image flag reset for switching boundaries · b04cc115
  Axel Kohlmeyer authored Apr 27, 2020
  
  b04cc115
- when changing boundaries from periodic to non-periodic, we need to reset the... · 644f74c5
  Axel Kohlmeyer authored Apr 27, 2020
  644f74c5
- remove trailing whitespace · f1aaad2b
  Axel Kohlmeyer authored Apr 27, 2020
  
  f1aaad2b
- do not mix c++ style and c-style comments · d53e468c
  Axel Kohlmeyer authored Apr 26, 2020
  
  d53e468c
- KIM.cmake: add workaround for <cmake-3.12 · 281c105a
  Christoph Junghans authored Apr 26, 2020
  
  281c105a
- Revert "cmake: move kim-api detection to cmake config" · d092b24c
  Christoph Junghans authored Apr 26, 2020
  
  d092b24c
Apr 26, 2020
- cosmetic edit to trigger new CI test runs · 0b6e5be3
  Axel Kohlmeyer authored Apr 26, 2020
  
  0b6e5be3
- USER-PLUMED: remove unused defines · 7fd50045
  Christoph Junghans authored Apr 25, 2020
  
  7fd50045
Apr 25, 2020
- Fixed bugs with special bonds for ellipsoid gpu pair styles · 1295a9ef
  Trung Nguyen authored Apr 25, 2020
  
  1295a9ef
- Merge pull request #2004 from stanmoore1/kk_3.1 · 72ff0dd8
  Axel Kohlmeyer authored Apr 24, 2020
  72ff0dd8
- Merge pull request #2006 from ndtrung81/body-doc-fix · 5cbebdda
  Axel Kohlmeyer authored Apr 24, 2020
  5cbebdda
- Merge pull request #2010 from akohlmey/collected-small-fixes · 3f8efed1
  Axel Kohlmeyer authored Apr 24, 2020
  3f8efed1
- Merge pull request #2014 from ellio167/kim_charge · 5855d334
  Axel Kohlmeyer authored Apr 24, 2020
  5855d334
- Merge pull request #2018 from junghans/cmake_kim-api_find · 4dae4578
  Axel Kohlmeyer authored Apr 24, 2020
  4dae4578
- add comment to trigger jenkins rerun · 4890c328
  Axel Kohlmeyer authored Apr 24, 2020
  
  4890c328
- Merge pull request #2022 from junghans/github-template-comments · 08dc8e86
  Axel Kohlmeyer authored Apr 24, 2020
  08dc8e86
- Revert accidental change · e114a8d1
  Stan Moore authored Apr 24, 2020
  
  e114a8d1
- Clear sharedsize for flat method · cb2a9e43
  Stan Moore authored Apr 24, 2020
  
  cb2a9e43
Apr 24, 2020
- github templates: turn comments in real comments · 47b06cf5
  Christoph Junghans authored Apr 24, 2020
  
  47b06cf5
Apr 23, 2020
- cmake: move kim-api detection to cmake config · 68dd6d0f
  Christoph Junghans authored Apr 23, 2020
  
  68dd6d0f
Apr 22, 2020
- make description of eflux as a variable less convoluted · fc10e885
  Axel Kohlmeyer authored Apr 22, 2020
  
  fc10e885
- update code owner entry for fix bond/react · 73bf1874
  Axel Kohlmeyer authored Apr 22, 2020
  
  73bf1874
- avoid segfault when using compute_scalar() on the initial step and no scaling has yet been done. · 48ab70f9
  Axel Kohlmeyer authored Apr 22, 2020
  
  48ab70f9
- use #include <cstdint> now that we require C++11 · 5eccaecf
  Axel Kohlmeyer authored Apr 21, 2020
  
  5eccaecf
- update include file conventions since we no longer require C++98 for LAMMPS core files · db4c6e40
  Axel Kohlmeyer authored Apr 21, 2020
  
  db4c6e40
- state in external Kokkos error message the version 3.1 or later is required · 0f9d8efe
  Axel Kohlmeyer authored Apr 21, 2020
  
  0f9d8efe
- add more explicit note about lack of support for pair styles in compute centroid/stress/atom · ea31fc11
  Axel Kohlmeyer authored Apr 21, 2020
  
  ea31fc11
- update singularity definition files for ubuntu variants to enable more LAMMPS... · 9f923c51
  Axel Kohlmeyer authored Apr 21, 2020
  9f923c51
Apr 21, 2020
- update Kokkos related documentation for Kokkos 3.1 and refactor build info a bit · 3c144600
  Axel Kohlmeyer authored Apr 21, 2020
  
  3c144600
- use HOSTARCH/HOST instead of CPUARCH/CPU to better distinguish from GPUARCH/GPU · 2348d6db
  Axel Kohlmeyer authored Apr 21, 2020
  
  2348d6db
- update table of Kokkos supported archs and indicate HOST/GPU designation · 729646d7
  Axel Kohlmeyer authored Apr 21, 2020
  
  729646d7
- rephrase note about kernel JIT recompilation and Kepler vs. the rest compatibility · 2ac7bfc9
  Axel Kohlmeyer authored Apr 21, 2020
  
  2ac7bfc9
- Merge pull request #2000 from akohlmey/polymorphic-update · 0711232e
  Axel Kohlmeyer authored Apr 20, 2020
  0711232e
- we must not write out per-type pair cutoff when long-range LJ is enabled · 0dfb1329
  Axel Kohlmeyer authored Apr 20, 2020
  
  0dfb1329
- need to copy maxspecial and "extra" data to do a proper recreation · 1c15ba88
  Axel Kohlmeyer authored Apr 20, 2020
  
  1c15ba88

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