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14922 Commits

Author SHA1 Message Date
Steve Plimpton 474b59a1f3
Merge pull request #981 from lammps/latte-tweak 
fix glitch in ABIVERSION in fix latte
 2018-06-29 16:03:45 -06:00
Steve Plimpton c63d77d0b8
Merge pull request #980 from lammps/spin-doc 
added SPIN package to Section_packages doc
 2018-06-29 15:26:36 -06:00
Steven J. Plimpton bf9646cbbe fix glitch in ABIVERSION in fix latte 2018-06-29 15:08:19 -06:00
Steven J. Plimpton d2dd76e655 added SPIN package to Section_packages doc 2018-06-29 14:56:27 -06:00
Steve Plimpton d649a6fe38
Merge pull request #979 from rbberger/small-python-fix 
Fixes issue #975
 2018-06-29 14:55:25 -06:00
Richard Berger a8b7153f4e Fixes issue #975 2018-06-29 16:03:38 -04:00
Steve Plimpton c3fe26a614
Merge pull request #977 from akohlmey/collected-small-changes 
Collected small changes for the next patch release
 2018-06-29 13:57:14 -06:00
Richard Berger bbe77e4c31 Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes 2018-06-29 15:33:23 -04:00
Richard Berger b819018084 Revert change to CMakeLists.txt which only works with 3.9+ 2018-06-29 15:31:15 -04:00
Axel Kohlmeyer 6900f9edf9 Merge branch 'master' into collected-small-changes 2018-06-29 14:59:02 -04:00
Steve Plimpton 11a8d4e1c3
Merge pull request #978 from lammps/new-makefiles 
new ARM makefiles, also some doc tweaks
 2018-06-29 12:53:58 -06:00
Steve Plimpton d9396df5b9
Merge pull request #976 from akohlmey/collected-cmake-changes 
Collected cmake changes
 2018-06-29 12:53:18 -06:00
Axel Kohlmeyer 0e047f2786 Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes 2018-06-29 12:05:28 -04:00
Steven J. Plimpton ec99b0957c new ARM makefiles, also some doc tweaks 2018-06-29 08:06:51 -06:00
Axel Kohlmeyer 75a3968039 multiple small tweaks to compute entropy/atom 
- improve error detection and messages
- avoid sigma/cutoff to be zero (and thus division by zero)
- move new/delete of temporary storage outside of loop
 2018-06-29 06:48:11 -04:00
Axel Kohlmeyer a3a2981cd2 remove unused class member 2018-06-29 01:22:35 -04:00
Axel Kohlmeyer 4f9c0456e6 eliminate variable length arrays from compute entropy/atom 2018-06-29 01:22:26 -04:00
Axel Kohlmeyer ad4720ef00 make various compiler instrumentation flags "advanced" options 2018-06-29 01:00:20 -04:00
Axel Kohlmeyer 946bca82c5 add options to support GNU gcc sanitizers 2018-06-29 00:56:35 -04:00
Axel Kohlmeyer 85d7f7ddc9 Merge branch 'cmake_presets' of https://github.com/rbberger/lammps into collected-cmake-changes 2018-06-29 00:23:52 -04:00
Axel Kohlmeyer ee0e9f94f1 Merge branch 'cmake_misc' of https://github.com/junghans/lammps into collected-cmake-changes 2018-06-29 00:16:19 -04:00
Axel Kohlmeyer 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
Axel Kohlmeyer b3bc5fd823 Merge branch 'record-compile-flags' of https://github.com/akohlmey/lammps into collected-cmake-changes 2018-06-29 00:09:51 -04:00
Richard Berger e0dc53ab3f Simplify CreateStyleHeader CMake utility 2018-06-28 14:22:37 -04:00
Richard Berger 206d349d5b Simplify DetectBuildSystemConflict CMake utility 2018-06-28 14:16:56 -04:00
Richard Berger 4d629872d8 CMake preset docs wording 2018-06-28 14:05:25 -04:00
Christoph Junghans 7a783870e2 Merge remote-tracking branch 'origin/master' into cmake_misc 2018-06-28 11:19:54 -06:00
Christoph Junghans 0df8587c18 cmake: make GPU_ARCH free form 2018-06-28 11:13:51 -06:00
Steve Plimpton 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
Axel Kohlmeyer 7abc960d39 import moltemplate 2.8.6 from andrew jewett 2018-06-28 08:18:35 -04:00
Richard Berger 23fb0370a9 Update CMake documentation 2018-06-28 00:39:24 -04:00
Axel Kohlmeyer a043ddcb82
Merge branch 'master' into cmake_misc 2018-06-27 21:12:25 -04:00
Christoph Junghans a2b2507121 cmake: remove ENABLE_ALL option 2018-06-27 19:02:10 -06:00
Steve Plimpton 6bd5a3d69b
Merge pull request #935 from julient31/spin_origin 
Spin origin
 2018-06-27 16:58:27 -06:00
Steve Plimpton 086e83456b
Merge pull request #970 from jrgissing/bond/react-optional-EdgeIDs 
Bond/react: edge IDs optional
 2018-06-27 16:52:41 -06:00
Steve Plimpton 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
Steve Plimpton 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
Axel Kohlmeyer fc3694189e update CODEOWNERS file for LATTE 2018-06-27 17:01:49 -04:00
Axel Kohlmeyer 75aacfd17f add explanation comment to ABIVERSION define 2018-06-27 16:58:58 -04:00
Axel Kohlmeyer 08552fefe9 add md5 checksum support to Install.py for LATTE 2018-06-27 16:52:28 -04:00
Richard Berger 20fe0cd9d0 Define CMake presets 2018-06-27 16:41:10 -04:00
Christoph Junghans 8f4b7161c5 README: add cmake 2018-06-27 14:12:34 -06:00
Axel Kohlmeyer 38cdc1828d insert spin package into make and cmake build system 2018-06-27 15:29:24 -04:00
Christoph Junghans 9353569d30 cmake: add KOKKOS_ARCH to summary 2018-06-27 13:25:56 -06:00
Christoph Junghans 868f5711a2 cmake: fix summary for GPU 2018-06-27 13:23:35 -06:00
Christoph Junghans 7ffab9a228 cmake: added INJECT_KNL_FLAG option 2018-06-27 13:22:22 -06:00
Axel Kohlmeyer 58559d9e62 update src/.gitignor for SPIN package sources 2018-06-27 14:08:54 -04:00
Axel Kohlmeyer 3eed23d3f7 whitespace cleanup 2018-06-27 14:07:09 -04:00
Axel Kohlmeyer d3b83885d1 make SPIN package examples consistent with other examples and add reference logs 2018-06-27 14:06:56 -04:00
Axel Kohlmeyer 3549345830 whitespace cleanup 2018-06-27 12:30:19 -04:00