Commit Graph

17514 Commits

Author SHA1 Message Date
ee0e9f94f1 Merge branch 'cmake_misc' of https://github.com/junghans/lammps into collected-cmake-changes 2018-06-29 00:16:19 -04:00
9f1aabea50 Merge branch 'cmake-fix-check-for-installed' of https://github.com/akohlmey/lammps into collected-cmake-changes 2018-06-29 00:13:23 -04:00
b3bc5fd823 Merge branch 'record-compile-flags' of https://github.com/akohlmey/lammps into collected-cmake-changes 2018-06-29 00:09:51 -04:00
e0dc53ab3f Simplify CreateStyleHeader CMake utility 2018-06-28 14:22:37 -04:00
206d349d5b Simplify DetectBuildSystemConflict CMake utility 2018-06-28 14:16:56 -04:00
4d629872d8 CMake preset docs wording 2018-06-28 14:05:25 -04:00
7a783870e2 Merge remote-tracking branch 'origin/master' into cmake_misc 2018-06-28 11:19:54 -06:00
0df8587c18 cmake: make GPU_ARCH free form 2018-06-28 11:13:51 -06:00
ad3d049edd Merge pull request #974 from akohlmey/moltemplate-2.8.6
Update moltemplate tool to version 2.8.6
2018-06-28 07:34:52 -06:00
7abc960d39 import moltemplate 2.8.6 from andrew jewett 2018-06-28 08:18:35 -04:00
23fb0370a9 Update CMake documentation 2018-06-28 00:39:24 -04:00
a043ddcb82 Merge branch 'master' into cmake_misc 2018-06-27 21:12:25 -04:00
a2b2507121 cmake: remove ENABLE_ALL option 2018-06-27 19:02:10 -06:00
6bd5a3d69b Merge pull request #935 from julient31/spin_origin
Spin origin
2018-06-27 16:58:27 -06:00
086e83456b Merge pull request #970 from jrgissing/bond/react-optional-EdgeIDs
Bond/react: edge IDs optional
2018-06-27 16:52:41 -06:00
1db4705a3d Merge pull request #966 from wmbrownIntel/user-intel-2018Jun
Intel Package: Bug fix when using LRT with minimize and for virial calculation with GNU...
2018-06-27 16:52:16 -06:00
8e77be0848 Merge pull request #967 from lammps/latte-tweak2
small changes to last LATTE PR, including xControl to upper case
2018-06-27 16:44:25 -06:00
fc3694189e update CODEOWNERS file for LATTE 2018-06-27 17:01:49 -04:00
75aacfd17f add explanation comment to ABIVERSION define 2018-06-27 16:58:58 -04:00
08552fefe9 add md5 checksum support to Install.py for LATTE 2018-06-27 16:52:28 -04:00
20fe0cd9d0 Define CMake presets 2018-06-27 16:41:10 -04:00
8f4b7161c5 README: add cmake 2018-06-27 14:12:34 -06:00
38cdc1828d insert spin package into make and cmake build system 2018-06-27 15:29:24 -04:00
9353569d30 cmake: add KOKKOS_ARCH to summary 2018-06-27 13:25:56 -06:00
868f5711a2 cmake: fix summary for GPU 2018-06-27 13:23:35 -06:00
7ffab9a228 cmake: added INJECT_KNL_FLAG option 2018-06-27 13:22:22 -06:00
58559d9e62 update src/.gitignor for SPIN package sources 2018-06-27 14:08:54 -04:00
3eed23d3f7 whitespace cleanup 2018-06-27 14:07:09 -04:00
d3b83885d1 make SPIN package examples consistent with other examples and add reference logs 2018-06-27 14:06:56 -04:00
3549345830 whitespace cleanup 2018-06-27 12:30:19 -04:00
244963aa19 fix incorrect scaling of emag bug 2018-06-27 12:29:34 -04:00
264f832b18 fix formatting of dump_modify docs 2018-06-27 07:58:57 -04:00
5c4bf8ac47 bond/react: optional EdgeIDs take2 2018-06-26 20:40:02 -06:00
6008cee6aa ...and replace with symbolic links 2018-06-26 16:02:56 -04:00
f33a2c982c remove redundant potential files 2018-06-26 16:01:54 -04:00
8e14143908 Merge pull request #925 from PabloPiaggi/pair_entropy
Pair entropy fingerprint
2018-06-26 13:16:09 -06:00
e6ef8ce5ee Merge pull request #968 from oywg11/github-tutorial-update
New paramteters for potential #839
2018-06-26 13:14:22 -06:00
ebe622ff7d make edge atoms optional 2018-06-26 09:35:38 -06:00
f94cdf856c Merge pull request #18 from lammps/master
rebase
2018-06-26 10:15:52 -05:00
e2622f0230 Remap the paragraph 2018-06-26 17:27:55 +03:00
e4dd6dec40 Refine the documentation 2018-06-26 16:36:16 +03:00
b0126dd9d6 updata potential file CH.KC 2018-06-26 16:09:42 +03:00
f36e1a2cdc Changed default deltabin from 2 to 3 2018-06-26 13:06:04 +02:00
c9d147c366 New paramteters for potential #839 2018-06-26 11:09:48 +03:00
19f81e0802 Add library functions for accessing LAMMPS configuration 2018-06-25 23:56:18 -04:00
49a91db0b2 small changes to last LATTE PR, including xControl to upper case 2018-06-25 17:43:31 -06:00
bad750eb2b move LATTE ABI version constant into a define at the top of fix latte, as suggested by @sjplimp 2018-06-25 19:34:10 -04:00
5e48565761 Merge pull request #961 from cnegre/newsystem
Added newsystem flag to be passed to latte
2018-06-25 17:20:57 -06:00
af91f7fa5d LAMMPS does not build on windows without this one 2018-06-25 18:13:41 -04:00
0cd86bab22 Added new checksum value 2018-06-25 14:58:49 -06:00