jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
14,940 Commits 9 Branches 198 Tags 1.1 GiB
Commit Graph

675 Commits

Author SHA1 Message Date
Axel Kohlmeyer ad4f61a5ce update fatbin makefile for libgpu.a to latest additions 2018-07-10 09:07:54 -04:00
Axel Kohlmeyer 08552fefe9 add md5 checksum support to Install.py for LATTE 2018-06-27 16:52:28 -04:00
Steven J. Plimpton 49a91db0b2 small changes to last LATTE PR, including xControl to upper case 2018-06-25 17:43:31 -06:00
Steve Plimpton 5e48565761
Merge pull request #961 from cnegre/newsystem 
Added newsystem flag to be passed to latte
 2018-06-25 17:20:57 -06:00
Axel Kohlmeyer af91f7fa5d LAMMPS does not build on windows without this one 2018-06-25 18:13:41 -04:00
Christian F. A. Negre 0cd86bab22 Added new checksum value 2018-06-25 14:58:49 -06:00
Christian F. A. Negre 2165a2aa9b Changed version on cmakelist and install.py 2018-06-22 10:04:20 -06:00
Steve Plimpton f5f73b0172
Merge pull request #958 from ndtrung81/gpu-updates 
Bug fixes and updates to the GPU package
 2018-06-22 08:52:20 -06:00
Trung Nguyen 28504e91c0 Added missing source files for born/coul/wolf/cs in the gpu library 2018-06-20 15:08:24 -05:00
Trung Nguyen a9b794b2ab Updates to the core-shell gpu pair styles 2018-06-20 10:43:13 -05:00
Trung Nguyen 3ae8fdccd8 Updated the kernels for born/coul/long/cs and coul/long/cs gpu styles 2018-06-19 16:22:00 -05:00
Trung Nguyen 70a7b37614 Updated pair coul/long/cs and born/coul/long/cs; updated gpu neighbor builds to support core-shell styles where r2 can be tiny. 2018-06-19 15:50:02 -05:00
Steve Plimpton fe14bfd1d2
Merge pull request #951 from martok/meam-diaref-fix 
Apply modifications to MEAM & MEAM/C as found by Kyung-Han Kang
 2018-06-18 10:29:57 -06:00
Steve Plimpton 16cc613993
Merge pull request #920 from junghans/mscg 
cmake: add DOWNLOAD_MSCG option
 2018-06-18 10:06:16 -06:00
Trung Nguyen 6842a527e0 Fixed bugs and added born/coul/long/cs/gpu and coul/long/cs/gpu, need tests 2018-06-18 00:15:28 -05:00
Trung Nguyen 265b6c261e Fixed bugs with lj/expand/coul/long and its gpu version 2018-06-15 23:38:37 -05:00
Axel Kohlmeyer fe483a769f update makefiles in lib/linalg to support .F files in addition to .f files 2018-06-15 15:35:34 -04:00
Axel Kohlmeyer f312fbfe32 update Install.py to use a specific numbered release version instead of master 2018-06-15 15:16:10 -04:00
Sebastian Hütter f68c6dddb8 Apply modifications to MEAM & MEAM/C as found by Kyung-Han Kang 2018-06-15 12:33:38 +02:00
Steve Plimpton 661848139c
Merge pull request #926 from ndtrung81/gpu-updates 
some updates to the GPU package
 2018-06-13 12:57:01 -06:00
Christoph Junghans 37268e435b Merge remote-tracking branch 'origin/master' into mscg 2018-06-08 18:06:06 -06:00
ndtrung a4a3133b76 Switched to standard C++ header files for consistency with other source files 2018-06-01 23:13:49 -05:00
Stan Moore c27e617fd8 Add logic to Makefile.kokkos 2018-05-29 11:33:18 -06:00
Stan Moore 1422b0413b Update Kokkos library to v2.7.00 2018-05-25 15:00:53 -06:00
Trung Nguyen 341fa160fe Updated UCL_Device built with OpenCL to use platforms that support accelerators by default 2018-05-23 16:11:55 -05:00
Trung Nguyen 2f9e6d4566 Fixed bugs in lal_device.cpp with node_names dynamically allocated and dipole/long/gpu 2018-05-21 23:32:25 -05:00
Axel Kohlmeyer 4ec31564fe fix preprocessor directive bug in lib/atc 2018-05-21 16:50:16 -04:00
Trung Nguyen 838a1938bb 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 2018-05-20 17:03:12 -05:00
Christoph Junghans 2e7b919774 linalg: update to netlib lapack-3.7.1 2018-05-18 15:20:47 -06:00
Christoph Junghans 858c211fdc linalg: add functions needed for MSCG 2018-05-18 15:08:08 -06:00
Stan Moore 5a4a7cebc1 Fix performance regression in KOKKOS package 2018-05-16 16:12:05 -06:00
Steve Plimpton bebf25dcb3
Merge pull request #912 from ellio167/kim-update 
Update to kim-api-v1.9.5
 2018-05-14 16:16:18 -06:00
Ryan S. Elliott 09046ad3f7 Update to kim-api-v1.9.5 
Fixes the 'everything' option
 2018-05-12 10:08:09 -05:00
Axel Kohlmeyer 233f03ea8e windows portability bugfix 2018-05-11 18:03:49 -04:00
Axel Kohlmeyer 724ade0af3 silence compiler warnings about bool vs int in AtC lib 2018-05-10 18:48:47 -04:00
Axel Kohlmeyer 40a8b1af79 fix stupid bug in AtC when using alloca() instead of VLAs 2018-05-10 17:42:10 -04:00
Axel Kohlmeyer 79d1d3458e revive lib/atc/Makefile.mpic++ 2018-05-10 15:44:36 -04:00
Axel Kohlmeyer fccc16f42c tune OpenCL for generic architecture by default 2018-05-08 00:50:23 -04:00
Axel Kohlmeyer e7e1827e57 remove variable length arrays in gpu lib 2018-05-08 00:48:53 -04:00
Axel Kohlmeyer 318dfd0613 correct indentation 2018-05-08 00:32:49 -04:00
Axel Kohlmeyer f4d14c96e8 convert poems lib to use c++-style header includes 2018-05-08 00:29:56 -04:00
Axel Kohlmeyer 3394d18a2a convert gpu lib to use c++-style include files 2018-05-08 00:25:10 -04:00
Axel Kohlmeyer ff6507e7b7 convert colvars lib to use c++ style header files 2018-05-08 00:17:57 -04:00
Axel Kohlmeyer fff962646f convert awpmd header include to c++ style 2018-05-08 00:10:20 -04:00
Axel Kohlmeyer f39a8d46d1 convert atc library header files to C++ style 2018-05-08 00:05:18 -04:00
Axel Kohlmeyer 1888b616c4 remove some extra semicolons 2018-05-07 18:04:25 -04:00
Axel Kohlmeyer 104dde27ed eliminate variable length arrays from AtC lib for C++ standard compliance 2018-05-07 17:36:34 -04:00
Axel Kohlmeyer 551ea9694d add VTK config for recent fedora versions 2018-05-07 07:23:29 -04:00
Axel Kohlmeyer f4fbdea0b3 update .gitignore for lib/latte 2018-05-07 07:23:29 -04:00
Axel Kohlmeyer 88dca11b3c update colvars dependencies 2018-05-05 02:36:02 -04:00