Commits · fa3c0c61d6a80ca07935ff0c0edd1e7a747b8c94 · multiscale / lammps · GitLab

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Aug 17, 2017
- Merge pull request #618 from lammps/intel · fa3c0c61
  Steve Plimpton authored 7 years ago
  
  USER-INTEL add-ons from Mike
  fa3c0c61
- Merge pull request #612 from giacomofiorin/colvars-update-2017-08-10 · c46d5ff4
  Steve Plimpton authored 7 years ago
  
  Minor fixes to Colvars module
  c46d5ff4
- Merge pull request #601 from stanmoore1/kokkos_update · dd67989c
  Steve Plimpton authored 7 years ago
  
  Update Kokkos library to v2.03.13
  dd67989c
- Merge pull request #597 from ndtrung81/three-body-short-nlist · 00aafef1
  Steve Plimpton authored 7 years ago
  
  Implementing short neighbor lists for three-body gpu styles
  00aafef1
Aug 16, 2017
- flag more pair styles as supporting USER-INTEL to match newly added code · 7175abcc
  Axel Kohlmeyer authored 7 years ago
  
  7175abcc
- Fix a couple of typos in the docs · e34b2040
  Axel Kohlmeyer authored 7 years ago
  
  e34b2040
- USER-INTEL add-ons from Mike · 1d4d2155
  Steve Plimpton authored 7 years ago
  
  1d4d2155
Aug 11, 2017
- patch 11Aug17 · 0b3f1b8a
  Steve Plimpton authored 7 years ago
  
  0b3f1b8a
- Merge pull request #614 from akohlmey/fixes-for-stable · b209a4e2
  Steve Plimpton authored 7 years ago
  
  Fixes for stable
  b209a4e2
- fix bug with pair_modify <style> compute not triggering the correct global change · 27553283
  Axel Kohlmeyer authored 7 years ago
  
  27553283
- trigger relink after package library build through updating the time stamp on main.cpp · df56b2d6
  Axel Kohlmeyer authored 7 years ago
  
  df56b2d6
- make download function more resilient by also catching failed execution · c6d923b6
  Axel Kohlmeyer authored 7 years ago
  
  c6d923b6
- whitespace cleanup · 6d24be8b
  Axel Kohlmeyer authored 7 years ago
  
  6d24be8b
Aug 10, 2017
- patch 10Aug17 · 52bec0f3
  Steve Plimpton authored 7 years ago
  
  52bec0f3
- Merge pull request #611 from akohlmey/final-tweaks · f68c6254
  Steve Plimpton authored 7 years ago
  
  More tweaks for stable release
  f68c6254
- More robust change from initial to target restraint centers in Colvars · da01be7c
  Giacomo Fiorin authored 7 years ago
  
  da01be7c
- fall back to wget when curl is not available · 146aa4cd
  Axel Kohlmeyer authored 7 years ago
  
  146aa4cd
- we need to override compiler flags in lib/voronoi/Install.py · 2f3747eb
  Axel Kohlmeyer authored 7 years ago
  
  The default compiler flags in voro++'s config.mk file do not include -fPIC, which makes it incompatible with building the shared object for the python wrapper.
  2f3747eb
- avoid writable string and deprecated implicit conversion warning · 2bc6ad80
  Axel Kohlmeyer authored 7 years ago
  
  2bc6ad80
- add some remarks about makefile settings on windows · f9a515ef
  Axel Kohlmeyer authored 7 years ago
  
  f9a515ef
- fix a header line formatting issue · 5b557442
  Axel Kohlmeyer authored 7 years ago
  
  5b557442
- Revert "remove -DLAMMPS_MEMALIGN from "make mpi" and "make serial" for increased portability" · 0dc3cbaa
  Axel Kohlmeyer authored 7 years ago
  
  This reverts commit 4e97b575.
  0dc3cbaa
- when recomputing special bonds, make certain we do not shrink atom->maxspecial... · ce62c412
  Axel Kohlmeyer authored 7 years ago
  
  when recomputing special bonds, make certain we do not shrink atom->maxspecial and add force->special_extra only once
  ce62c412
- remove -DLAMMPS_MEMALIGN from "make mpi" and "make serial" for increased portability · 4e97b575
  Axel Kohlmeyer authored 7 years ago
  
  4e97b575
- Merge pull request #609 from akohlmey/doc-changes-for-stable · 7f437d76
  Steve Plimpton authored 7 years ago
  
  Final tweaks and doc changes for stable release
  7f437d76
- make the deprecation warning nicer looking · 77a628e4
  Axel Kohlmeyer authored 7 years ago
  
  77a628e4
- correctly use the term CUDA (instead of Cuda) when not referring to the KOKKOS... · f01103dd
  Axel Kohlmeyer authored 7 years ago
  
  correctly use the term CUDA (instead of Cuda) when not referring to the KOKKOS device flag (which is Cuda)
  f01103dd
- rework section 4 (Packages) in the manual to match Install.py scripts · 81f4d7ec
  Axel Kohlmeyer authored 7 years ago
  
  81f4d7ec
Aug 09, 2017
- add a deprecation warning to pair style meam and make the reax one consistent with it · 210a77c5
  Axel Kohlmeyer authored 7 years ago
  
  210a77c5
- Added references to GPU package citations · 3e9b41c6
  Trung Nguyen authored 7 years ago
  
  3e9b41c6
- restore mpic++ makefile to resolve regression test failure · 6780c739
  Axel Kohlmeyer authored 7 years ago
  
  6780c739
- updated comment for fix neb by steve · be25a7d9
  Axel Kohlmeyer authored 7 years ago
  
  be25a7d9
- Merge pull request #607 from akohlmey/final-changes-for-stable · 691d1b73
  Steve Plimpton authored 7 years ago
  
  Final build system changes for stable release
  691d1b73
Aug 08, 2017
- consistently use $(PYTHON) in the master makefile (which defaults to "python") · 95ece8a6
  Axel Kohlmeyer authored 7 years ago
  
  95ece8a6
- remove attempts to use urllib and use curl for all downloading. restore... · b7b1257b
  Axel Kohlmeyer authored 7 years ago
  
  remove attempts to use urllib and use curl for all downloading. restore printing help with no flags.
  b7b1257b
- rework Install.py for gpu library. make it consistent with other lib folders and support python3 · 30431d4e
  Axel Kohlmeyer authored 7 years ago
  
  30431d4e
- Remove redundant check in Makefile.kokkos · 8a7a831b
  Stan Moore authored 7 years ago
  
  8a7a831b
- update README file for lib/mscg · c53a84a9
  Axel Kohlmeyer authored 7 years ago
  
  c53a84a9
- do not pollute global namespace by including mscg header in fix header · b7b62f68
  Axel Kohlmeyer authored 7 years ago
  
  b7b62f68
- add local makefile overrides to be compatible with standard suffixes · d2b0c287
  Axel Kohlmeyer authored 7 years ago
  
  d2b0c287