Commits · 8e141439080c574a93f5c6591cfd613b4c2683c2 · multiscale / lammps · GitLab

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Jun 25, 2018
- LAMMPS does not build on windows without this one · af91f7fa
  Axel Kohlmeyer authored 6 years ago
  
  af91f7fa
- Added new checksum value · 0cd86bab
  Christian F. A. Negre authored 6 years ago
  
  0cd86bab
Jun 22, 2018
- Changed version on cmakelist and install.py · 2165a2aa
  Christian F. A. Negre authored 6 years ago
  
  2165a2aa
Jun 20, 2018
- Added missing source files for born/coul/wolf/cs in the gpu library · 28504e91
  Trung Nguyen authored 6 years ago
  
  28504e91
- Updates to the core-shell gpu pair styles · a9b794b2
  Trung Nguyen authored 6 years ago
  
  a9b794b2
Jun 19, 2018
- Updated the kernels for born/coul/long/cs and coul/long/cs gpu styles · 3ae8fdcc
  Trung Nguyen authored 6 years ago
  
  3ae8fdcc
- Updated pair coul/long/cs and born/coul/long/cs; updated gpu neighbor builds... · 70a7b376
  Trung Nguyen authored 6 years ago
  
  Updated pair coul/long/cs and born/coul/long/cs; updated gpu neighbor builds to support core-shell styles where r2 can be tiny.
  70a7b376
Jun 18, 2018
- Fixed bugs and added born/coul/long/cs/gpu and coul/long/cs/gpu, need tests · 6842a527
  Trung Nguyen authored 6 years ago
  
  6842a527
Jun 16, 2018
- Fixed bugs with lj/expand/coul/long and its gpu version · 265b6c26
  Trung Nguyen authored 6 years ago
  
  265b6c26
Jun 15, 2018
- update makefiles in lib/linalg to support .F files in addition to .f files · fe483a76
  Axel Kohlmeyer authored 6 years ago
  
  fe483a76
- update Install.py to use a specific numbered release version instead of master · f312fbfe
  Axel Kohlmeyer authored 6 years ago
  
  f312fbfe
- Apply modifications to MEAM & MEAM/C as found by Kyung-Han Kang · f68c6ddd
  Sebastian Hütter authored 6 years ago
  
  f68c6ddd
Jun 02, 2018
- Switched to standard C++ header files for consistency with other source files · a4a3133b
  ndtrung authored 6 years ago
  
  a4a3133b
May 29, 2018
- Add logic to Makefile.kokkos · c27e617f
  Stan Moore authored 6 years ago
  
  c27e617f
May 25, 2018
- Update Kokkos library to v2.7.00 · 1422b041
  Stan Moore authored 6 years ago
  
  1422b041
May 23, 2018
- Updated UCL_Device built with OpenCL to use platforms that support accelerators by default · 341fa160
  Trung Nguyen authored 6 years ago
  
  341fa160
May 22, 2018
- Fixed bugs in lal_device.cpp with node_names dynamically allocated and dipole/long/gpu · 2f9e6d45
  Trung Nguyen authored 6 years ago
  
  2f9e6d45
May 21, 2018
- fix preprocessor directive bug in lib/atc · 4ec31564
  Axel Kohlmeyer authored 6 years ago
  
  4ec31564
May 20, 2018

Added pair styles lj/expand/coul/long to USER-MISC and its gpu version to GPU... · 838a1938

Trung Nguyen authored 6 years ago

Added pair styles lj/expand/coul/long to USER-MISC and its gpu version to GPU package, added lj/cut/dipole/long/gpu; and added an example Makfile to build GPU package for multi-arch

838a1938

May 18, 2018
- linalg: update to netlib lapack-3.7.1 · 2e7b9197
  Christoph Junghans authored 6 years ago
  
  2e7b9197
- linalg: add functions needed for MSCG · 858c211f
  Christoph Junghans authored 6 years ago
  
  858c211f
May 16, 2018
- Fix performance regression in KOKKOS package · 5a4a7ceb
  Stan Moore authored 6 years ago
  
  5a4a7ceb
May 12, 2018
- Update to kim-api-v1.9.5 · 09046ad3
  Ryan S. Elliott authored 6 years ago
  
  Fixes the 'everything' option
  09046ad3
May 11, 2018
- windows portability bugfix · 233f03ea
  Axel Kohlmeyer authored 6 years ago
  
  233f03ea
May 10, 2018
- silence compiler warnings about bool vs int in AtC lib · 724ade0a
  Axel Kohlmeyer authored 6 years ago
  
  724ade0a
- fix stupid bug in AtC when using alloca() instead of VLAs · 40a8b1af
  Axel Kohlmeyer authored 6 years ago
  
  40a8b1af
- revive lib/atc/Makefile.mpic++ · 79d1d345
  Axel Kohlmeyer authored 6 years ago
  
  79d1d345
May 08, 2018
- tune OpenCL for generic architecture by default · fccc16f4
  Axel Kohlmeyer authored 6 years ago
  
  fccc16f4
- remove variable length arrays in gpu lib · e7e1827e
  Axel Kohlmeyer authored 6 years ago
  
  e7e1827e
- correct indentation · 318dfd06
  Axel Kohlmeyer authored 6 years ago
  
  318dfd06
- convert poems lib to use c++-style header includes · f4d14c96
  Axel Kohlmeyer authored 6 years ago
  
  f4d14c96
- convert gpu lib to use c++-style include files · 3394d18a
  Axel Kohlmeyer authored 6 years ago
  
  3394d18a
- convert colvars lib to use c++ style header files · ff6507e7
  Axel Kohlmeyer authored 6 years ago
  
  ff6507e7
- convert awpmd header include to c++ style · fff96264
  Axel Kohlmeyer authored 6 years ago
  
  fff96264
- convert atc library header files to C++ style · f39a8d46
  Axel Kohlmeyer authored 6 years ago
  
  f39a8d46
May 07, 2018
- remove some extra semicolons · 1888b616
  Axel Kohlmeyer authored 6 years ago
  
  1888b616
- eliminate variable length arrays from AtC lib for C++ standard compliance · 104dde27
  Axel Kohlmeyer authored 6 years ago
  
  104dde27
- add VTK config for recent fedora versions · 551ea969
  Axel Kohlmeyer authored 6 years ago
  
  551ea969
- update .gitignore for lib/latte · f4fbdea0
  Axel Kohlmeyer authored 6 years ago
  
  f4fbdea0
May 05, 2018
- update colvars dependencies · 88dca11b
  Axel Kohlmeyer authored 6 years ago
  
  88dca11b