Commits · e7d042ba1a0e0c81c3d73daa5874df270415004d · 郑智淋 / lammps · GitLab

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Sep 20, 2017
- convert DOS/Windows CR-LF line endings to native format · e7d042ba
  Axel Kohlmeyer authored Sep 20, 2017
  
  e7d042ba
- new SNAP potentials and examples · dd49d548
  Steve Plimpton authored Sep 20, 2017
  
  dd49d548
- Merge pull request #655 from akohlmey/fixes-for-patch · fbaa7ab8
  Steve Plimpton authored Sep 20, 2017
  fbaa7ab8
- Merge pull request #645 from akohlmey/kokkos-makefile-updates · 2e9803ef
  Steve Plimpton authored Sep 20, 2017
  2e9803ef
Sep 19, 2017
- correct USER-INTEL installer script for verlet_lrt_intel files · 19f1f3a3
  Axel Kohlmeyer authored Sep 19, 2017
  
  19f1f3a3
- compile all objects in the GPU library with -fPIC for building shared object · be96486d
  Axel Kohlmeyer authored Sep 07, 2017
  
  be96486d
- ignore generated header files with OpenCL kernels · 48dd824b
  Axel Kohlmeyer authored Sep 07, 2017
  
  48dd824b
- reverse the pre-processor logic of the LRT mode define · cdb6ec74
  Axel Kohlmeyer authored Sep 06, 2017
  cdb6ec74
- allow fix viscous to be used with dynamic groups · aad8cd10
  Axel Kohlmeyer authored Sep 18, 2017
  
  aad8cd10
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

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