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Merge branch 'master' into USER-DPD_kokkos

Authored by Stan Moore <stamoor@sandia.gov> on Aug 22 2017, 21:50.

Description

Merge branch 'master' into USER-DPD_kokkos

Event Timeline

Stan Moore <stamoor@sandia.gov> committed rLAMMPS5c985946d58f: Merge branch 'master' into USER-DPD_kokkos (authored by Stan Moore <stamoor@sandia.gov>).Aug 22 2017, 21:50

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.
CommitAuthorDetailsCommitted
b11fe2eddb93Steve Plimpton/GitHub
Merge pull request #573 from junghans/cmake 
Aug 18 2017
7ddcb6812b44Steve Plimpton
patch 17Aug17 
Aug 18 2017
76cd61350d4cSteve Plimpton/GitHub
Merge pull request #613 from akohlmey/collected-small-changes 
Aug 17 2017
fa3c0c61d6a8Steve Plimpton/GitHub
Merge pull request #618 from lammps/intel 
Aug 17 2017
c46d5ff422c2Steve Plimpton/GitHub
Merge pull request #612 from giacomofiorin/colvars-update-2017-08-10 
Aug 17 2017
dd67989c7675Steve Plimpton/GitHub
Merge pull request #601 from stanmoore1/kokkos_update 
Aug 17 2017
00aafef1a851Steve Plimpton/GitHub
Merge pull request #597 from ndtrung81/three-body-short-nlist 
Aug 17 2017
7175abcc7170Axel Kohlmeyer
flag more pair styles as supporting USER-INTEL to match newly added code 
Aug 16 2017
e34b20405c28Axel Kohlmeyer/GitHub
Fix a couple of typos in the docs 
Aug 16 2017
1d4d2155a23bSteve Plimpton
USER-INTEL add-ons from Mike 
Aug 16 2017
cee87d7a54b5Axel Kohlmeyer
update manual to point to packages.lammps.org instead of rpm.lammps.org 
Aug 15 2017
60e14f14906cAxel Kohlmeyer
add comment to msi2lmp README about symmetry limitations 
Aug 14 2017
81e7d4a94259Axel Kohlmeyer
fix incorrect preprocessor define for windows 
Aug 12 2017
0b3f1b8a156dSteve Plimpton
patch 11Aug17 
Aug 11 2017
b209a4e246b5Steve Plimpton/GitHub
Merge pull request #614 from akohlmey/fixes-for-stable 
Aug 11 2017
27553283c30eAxel Kohlmeyer
fix bug with pair_modify <style> compute not triggering the correct global… 
Aug 11 2017
df56b2d6a43aAxel Kohlmeyer
trigger relink after package library build through updating the time stamp on… 
Aug 11 2017
c6d923b6c889Axel Kohlmeyer
make download function more resilient by also catching failed execution 
Aug 11 2017
6d24be8bb70fAxel Kohlmeyer
whitespace cleanup 
Aug 11 2017
8c16ea1bfca5Axel Kohlmeyer
add automatic triggering of review requests with a code owners file 
Aug 10 2017
c8741f3a01a2Axel Kohlmeyer
remove special_bonds extra keyword and refer to read_data and create_box instead 
Aug 10 2017
2a7d2dee3652Axel Kohlmeyer
add more strict checking of data when parsing molecule files to detect format… 
Aug 10 2017
da01be7c1857Giacomo Fiorin
More robust change from initial to target restraint centers in Colvars 
Aug 10 2017
3e9b41c6b74dTrung Nguyen
Added references to GPU package citations 
Aug 9 2017
8a7a831bd6c0Stan Moore
Remove redundant check in Makefile.kokkos 
Aug 8 2017
93190a548a4aRichard Berger
Merge branch 'cmake' of github.com:junghans/lammps into cmake 
Jul 31 2017
72f50c91ee01Richard Berger
Add -DLAMMPS_EXCEPTIONS flag 
Jul 31 2017
408d9d99a946Christoph Junghans
cmake: improve some error messages 
Jul 31 2017
8431ca5fecbcStan Moore
Remove tpls directory 
Jul 31 2017
13f2d39f55b1Stan Moore
Update Kokkos library to v2.03.13 
Jul 31 2017
0231cc38a35eChristoph Junghans
cmake: some more typo fixes 
Jul 26 2017
6716de532073Christoph Junghans
allow user to override PYTHON_INSTDIR 
Jul 25 2017
f2023431f69bChristoph Junghans
cmake: fixed another typo 
Jul 24 2017
aa60ef6ed8cfTrung Nguyen
Cleaned up 3-body kernels, reverted some mistaken changes to vashishta 
Jul 23 2017
a71f5a0c20f7Trung Nguyen
Enabled again neigh no with tpa > 1 for 3-body gpu styles for backward… 
Jul 23 2017
126d9cd3bc71Christoph Junghans
add GZIP and FFMPEG status 
Jul 22 2017
74deeeca5855Christoph Junghans
cmake: fixed another typo 
Jul 21 2017
c010edc4fdc3Christoph Junghans
cmake: fixed two typos 
Jul 21 2017
3d1d0c58c732Trung Nguyen
Cleaned up 3-body gpu styles, and fixed a bug for tersoff/zbl/gpu. There is a… 
Jul 21 2017
e8e9ea839207Christoph Junghans
added one trivial test 
Jul 21 2017
c88d1e5510a1Christoph Junghans
make ENABLE_ALL work out of the box 
Jul 20 2017
427ca88dd44dChristoph Junghans
cmake: error for POEMS + BODY package 
Jul 20 2017
1749d643c720Christoph Junghans
GPU: bring back CUDPP_OPT 
Jul 20 2017
f037f89f5f4dChristoph Junghans
fix GPU + BUILD_SHARED_LIBS 
Jul 20 2017
488609a5fdfaChristoph Junghans
make FFT a selective option 
Jul 20 2017
01bcb79bdc0cChristoph Junghans
cmake: clean up and updated comments 
Jul 20 2017
babba1870efeChristoph Junghans
added FFTW2 support 
Jul 19 2017
a99e3ef4f0e8Christoph Junghans
cmake: fix typo and pkg info 
Jul 19 2017
c95db97b83c3Christoph Junghans
fix PYTHON install 
Jul 19 2017
2961ba7ebb0dChristoph Junghans
added MKL support 
Jul 19 2017