Commits · 1ac90815f3426d0b19775e497ca84bf3bfa80a4e · 郑智淋 / lammps · GitLab

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Sep 18, 2017
- fix external only needs to collect virial in case it is requested · 1ac90815
  Axel Kohlmeyer authored Sep 17, 2017
  
  1ac90815
- activate virial contribution in `fix lb/rigid/pc/sphere` by default and... · 5f184282
  Axel Kohlmeyer authored Sep 17, 2017
  5f184282
- whether virial contributions from fixes are included depend on thermo_virial, not virial_flag. · 66130f55
  Axel Kohlmeyer authored Sep 17, 2017
  
  66130f55
- correctly initialize `thermo_virial` in fix poems and protect access to... · 388eab5e
  Axel Kohlmeyer authored Sep 17, 2017
  388eab5e
- remove bogus version of temper/npt command · a500048c
  Axel Kohlmeyer authored Sep 17, 2017
  
  a500048c
- remove another couple of purge items from long ago · b4ecad7f
  Axel Kohlmeyer authored Sep 17, 2017
  
  b4ecad7f
- automatically call 'make purge' before calling 'make package-update' or 'make package-overwrite' · b5894e21
  Axel Kohlmeyer authored Sep 17, 2017
  
  b5894e21
Sep 16, 2017
- correct embarrassing typo · 6f1935ea
  Axel Kohlmeyer authored Sep 15, 2017
  6f1935ea
- Merge pull request #649 from akohlmey/fix-virial-aidan · d101fe3e
  Steve Plimpton authored Sep 15, 2017
  d101fe3e
- Merge pull request #654 from giacomofiorin/colvars-small-fix · 27f99534
  Steve Plimpton authored Sep 15, 2017
  27f99534
- Merge pull request #653 from jdevemy/master · 5f6937da
  Steve Plimpton authored Sep 15, 2017
  5f6937da
- Merge pull request #628 from lammps/cmake_improvements · 3b39694f
  Steve Plimpton authored Sep 15, 2017
  3b39694f
Sep 15, 2017
- add support for fix_modify virial yes to fix smd · 99e5dc71
  Axel Kohlmeyer authored Sep 15, 2017
  
  99e5dc71
- correct cut-n-paste errors in the documentation of fix_modify virial · ccb67d8d
  Axel Kohlmeyer authored Sep 15, 2017
  
  ccb67d8d
- correct cut-n-paste error, add docs · 2cd7cbd9
  Axel Kohlmeyer authored Sep 15, 2017
  
  2cd7cbd9
- add virial support to fix addforce · 8776b810
  Axel Kohlmeyer authored Sep 15, 2017
  
  8776b810
- Fix small typo to calculation of accumulated work in Colvars · f1fce64f
  Giacomo Fiorin authored Sep 14, 2017
  
  f1fce64f
Sep 14, 2017
- Bugfix for the limit keyword · da7776f8
  Julien Devemy authored Sep 14, 2017
  
  da7776f8
Sep 13, 2017
- Merge pull request #647 from rbberger/gpu_opencl_2 · f971cd6e
  Steve Plimpton authored Sep 12, 2017
  f971cd6e
- Merge pull request #644 from akohlmey/collected-small-fixes · 0cb3a382
  Steve Plimpton authored Sep 12, 2017
  0cb3a382
- Merge pull request #643 from andeplane/gpu_opencl_compile_fix · e9277946
  Steve Plimpton authored Sep 12, 2017
  e9277946
Sep 12, 2017
- import changes to various fixes by aidan to include virial contributions · e196a2b9
  Axel Kohlmeyer authored Sep 11, 2017
  
  e196a2b9
- update src/.gitignore · cb19ef54
  Axel Kohlmeyer authored Sep 11, 2017
  
  cb19ef54
- the original fix qeq went away over 7 years ago, we don't need to purge it · 95d84928
  Axel Kohlmeyer authored Sep 11, 2017
  
  95d84928
Sep 11, 2017
- add infrastructure for enabling fixes to contribute to the virial by aidan · b3547a9e
  Axel Kohlmeyer authored Sep 11, 2017
  
  b3547a9e
Sep 10, 2017
- Use OpenCL 2.x API in GPU package when supported · 84b84c10
  Richard Berger authored Sep 09, 2017
  
  84b84c10
Sep 09, 2017
- cmake: added USER-MESO · 0be7f467
  Christoph Junghans authored Sep 09, 2017
  
  0be7f467
- Merge remote-tracking branch 'origin/master' into cmake_improvements · 4738fedc
  Christoph Junghans authored Sep 09, 2017
  
  4738fedc
- cmake: fix lib suffix · 1601433c
  Christoph Junghans authored Sep 09, 2017
  
  1601433c
- cmake: OpenCL is always found if required · 3fdb6f10
  Christoph Junghans authored Sep 09, 2017
  
  3fdb6f10
- Merge branch 'cmake_pkg_libs' into cmake_improvements · ff18cff4
  Richard Berger authored Sep 08, 2017
  
  ff18cff4
- Add OpenCL support to CMake build · 8a06a7bc
  Richard Berger authored Sep 08, 2017
  
  8a06a7bc
Sep 07, 2017
- recover ability to compile USER-INTEL without OpenMP enabled · de8297ea
  Axel Kohlmeyer authored Sep 06, 2017
  
  de8297ea
Sep 06, 2017
- fix typo in commands table · fe557cb8
  Axel Kohlmeyer authored Sep 06, 2017
  
  fe557cb8
- Merge pull request #641 from lammps/doc-tweak · c80203cb
  Steve Plimpton authored Sep 06, 2017
  c80203cb
- Merge pull request #640 from ohenrich/user-cgdna · 4161868b
  Steve Plimpton authored Sep 06, 2017
  4161868b
- Merge pull request #639 from rbberger/python_interface_improvements · 9ca39c89
  Steve Plimpton authored Sep 06, 2017
  9ca39c89
- Merge pull request #632 from timattox/USER-DPD_kokkos_merge · 99791ce0
  Steve Plimpton authored Sep 06, 2017
  99791ce0
- remove duplicate listing of deleted USER-DPD files from Purge.list · 0248a7b9
  Tim Mattox authored Sep 06, 2017
  
  0248a7b9
- Fixed OpenCL compilation issues with __global keywords · dbc60d94
  Anders Hafreager authored Sep 06, 2017
  
  dbc60d94

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