Commits · ee487ef4aa4f5fe54bdf618db3c4c3d3d0b24def · 郑智淋 / lammps · GitLab

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Sep 23, 2017
- Merge pull request #652 from junghans/latte · ee487ef4
  Steve Plimpton authored Sep 22, 2017
  ee487ef4
Sep 22, 2017
- update fix latte examples and virial · a8ae8866
  Steve Plimpton authored Sep 21, 2017
  
  a8ae8866
Sep 21, 2017
- fixed sucrose · 5e35ab25
  Christian Negre authored Sep 20, 2017
  
  5e35ab25
- cmake: download/build latte if not found · d708e34b
  Christoph Junghans authored Sep 20, 2017
  
  d708e34b
Sep 20, 2017
- Merge pull request #657 from lammps/snap-potentials · 638b91bf
  Steve Plimpton authored Sep 20, 2017
  638b91bf
- whitespace cleanup · ad25a952
  Axel Kohlmeyer authored Sep 20, 2017
  
  ad25a952
- 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
- add .gitignore and add Makefile.lammps.* symlinks to stay consistent with other libraries · 59d2e13d
  Axel Kohlmeyer authored Sep 19, 2017
  
  59d2e13d
- add fix latte command to doc pages · 76d93f21
  Steve Plimpton authored Sep 19, 2017
  
  76d93f21
- LATTE package doc update and some small code changes · ac897ea6
  Steve Plimpton authored Sep 19, 2017
  
  ac897ea6
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
- fix doc in lib/latte/Makefile.lammps.* · 02665e45
  Christoph Junghans authored Sep 15, 2017
  
  02665e45
- Merge branch 'exaalt' of gitlab.com:exaalt/lammps into latte · cc2a53a8
  Christoph Junghans authored Sep 15, 2017
  
  cc2a53a8
- Merge branch 'exaalt' of gitlab.com:exaalt/lammps into exaalt · d614d56c
  Christian Negre authored Sep 15, 2017
  
  d614d56c
- added fix_latte.txt · 39daf3c6
  Christian Negre authored Sep 15, 2017
  
  39daf3c6
- Merge remote-tracking branch 'origin/master' into latte · 17aeccf1
  Christoph Junghans authored Sep 15, 2017
  
  17aeccf1
- 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

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