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Diffusion lammps e55fa9d320d3

Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks
e55fa9d320d3
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Authored by Stan Moore <stamoor@sandia.gov> on Aug 23 2017, 23:21.

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Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks

Details

Committed
Stan Moore <stamoor@sandia.gov>Aug 23 2017, 23:21
Pushed
jungeOct 19 2017, 09:53
Parents
rLAMMPScbf3646806f9: Merge branch 'master' into USER-DPD_kokkos
rLAMMPSf5a99dece766: Remove unnecessary thread fences
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Stan Moore <stamoor@sandia.gov> committed rLAMMPSe55fa9d320d3: Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks (authored by Stan Moore <stamoor@sandia.gov>).Aug 23 2017, 23:21

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.
CommitAuthorDetailsCommitted
cbf3646806f9Stan Moore
Merge branch 'master' into USER-DPD_kokkos 
Aug 23 2017
b6c93f96cfe0Steve Plimpton/GitHub
Merge pull request #629 from stanmoore1/kokkos_update 
Aug 23 2017
7b7a5076d00aSteve Plimpton/GitHub
Merge pull request #624 from akohlmey/compute-fragment 
Aug 23 2017
1536eb5de549Steve Plimpton/GitHub
Merge pull request #630 from akohlmey/moltemplate-update 
Aug 23 2017
f7a0a6eb7069Steve Plimpton/GitHub
Merge pull request #622 from akohlmey/collected-small-fixes 
Aug 23 2017
d80a6cbd317aSteve Plimpton/GitHub
Merge pull request #621 from lammps/user-meso 
Aug 23 2017
c4b37039ab88Steve Plimpton/GitHub
Merge pull request #619 from jrgissing/molecule_maxspecial 
Aug 23 2017
b52efa28507fAxel Kohlmeyer
add compatibility to NetCDF 4.3.3 as bundled with RHEL 7.x 
Aug 23 2017
e88ff8d6f932Axel Kohlmeyer
correct embedded help for GPU lib Install.py 
Aug 23 2017
97edf90a7389Axel Kohlmeyer
update fix qeq docs for the new, more flexible parameter file format 
Aug 23 2017
12150ffa7397Axel Kohlmeyer
add moltemplate version 2017-8-22 
Aug 23 2017
57aafba7c3bdAxel Kohlmeyer
remove old moltemplate version 
Aug 23 2017
cdfb1aa04375Axel Kohlmeyer
make links unique, fix doc format warnings and add entries to administrative… 
Aug 23 2017
b80752a40c56Axel Kohlmeyer
restore changes to read_data docs, that would have been lost due to merging an… 
Aug 23 2017
79d5ca669dcbAxel Kohlmeyer
fix issues indicated by compiler warnings 
Aug 23 2017
26c15140be20Axel Kohlmeyer
add USER-MESO files to .gitignore 
Aug 23 2017
5c985946d58fStan Moore
Merge branch 'master' into USER-DPD_kokkos 
Aug 22 2017
090c792d9070Stan Moore
Update Kokkos library to v2.04.00 
Aug 22 2017
24c00b1f7a20Axel Kohlmeyer
fix typo 
Aug 21 2017
5a0c3aea8ac1Axel Kohlmeyer
add a compute aggregate/atom, that combines the rules for compute cluster/atom… 
Aug 21 2017
d1a0c040c9f8Axel Kohlmeyer
add initializers for nmatch/nwant variables in molecule file parser 
Aug 21 2017
f5b8f722eee3Axel Kohlmeyer
remove non-portable non-ascii blanks from fix wall/ees docs 
Aug 20 2017
39e51df2c004Axel Kohlmeyer
add missing entry in pdf manual 
Aug 20 2017
c895df73d624Axel Kohlmeyer
skip over disabled bonds 
Aug 20 2017
4dc1195cd851Axel Kohlmeyer
add docs for compute fragment/atom 
Aug 20 2017
35fd82b60282Axel Kohlmeyer
trim unneeded includes 
Aug 20 2017
c5ce3ffe60e4Axel Kohlmeyer
use list of bonds per atom instead of bondlist, as that will work with shake as… 
Aug 20 2017
aa1ce09b1264Axel Kohlmeyer
more cleanup, checks and generalization of QEQ parameter file parsing 
Aug 19 2017
f945d4567d4fSteve Plimpton
new USER-MESO package 
Aug 19 2017
44ccdb86df24Axel Kohlmeyer
add checks when reading QEQ parameter file to avoid segfaults and memory… 
Aug 19 2017
2e6a928aa315Axel Kohlmeyer
ignore file recently added to USER-INTEL 
Aug 19 2017
6f66e6c45445Axel Kohlmeyer
add new compute fragment/atom 
Aug 19 2017
d671a04274f9Axel Kohlmeyer
whitespace cleanup 
Aug 18 2017
bf7cff73d42aAxel Kohlmeyer
allocate the temporary special array on the heap and not the stack (it may get… 
Aug 18 2017
9e85b3178a14jrgissing
molecule maxspecial value corrected when specials autogenerated 
Aug 18 2017
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

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