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Diffusion lammps b11f376a4f89

Merge branch 'master' of github.com:lammps/lammps
b11f376a4f89
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Authored by Michele Ceriotti <michele.ceriotti@gmail.com> on Nov 19 2016, 23:25.

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Merge branch 'master' of github.com:lammps/lammps

Details

Committed
Michele Ceriotti <michele.ceriotti@gmail.com>Nov 19 2016, 23:25
Pushed
jungeOct 19 2017, 09:53
Parents
rLAMMPS0229556b031d: Merge branch 'master' of github.com:lammps/lammps
rLAMMPS4b51719e67c2: new 17Nov16 patch and stable
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Michele Ceriotti <michele.ceriotti@gmail.com> committed rLAMMPSb11f376a4f89: Merge branch 'master' of github.com:lammps/lammps (authored by Michele Ceriotti <michele.ceriotti@gmail.com>).Nov 19 2016, 23:25

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.
CommitAuthorDetailsCommitted
4b51719e67c2Steve Plimpton
new 17Nov16 patch and stable 
Nov 18 2016
25d7be5f3dd5Steve Plimpton
compute pressure doc change 
Nov 18 2016
74c0e4dd5c10sjplimp/GitHub
Merge pull request #278 from akohlmey/pair-agni 
Nov 17 2016
073e8a052485sjplimp/GitHub
Merge pull request #276 from akohlmey/doc-updates 
Nov 17 2016
5320bbf58513sjplimp/GitHub
Merge pull request #275 from andeplane/IP_VORONOI 
Nov 17 2016
44488198240fsjplimp/GitHub
Merge pull request #274 from andeplane/IP_POEMS 
Nov 17 2016
300ac30332a0sjplimp/GitHub
Merge pull request #273 from akohlmey/auto-memalign 
Nov 17 2016
2535e44991a2sjplimp/GitHub
Merge pull request #271 from akohlmey/tersoff-modc 
Nov 17 2016
cdae7943833dsjplimp/GitHub
Merge pull request #242 from andeplane/vashishta_kokkos 
Nov 17 2016
8756a1017dc8Steve Plimpton
Kokkos updates by Stan 
Nov 17 2016
22d93fe8fbabAxel Kohlmeyer
add restrict to CCFLAGS for makefiles intended for intel compilers 
Nov 16 2016
57124b9b2509Axel Kohlmeyer
update documentation metadata files for recent changes 
Nov 12 2016
03b3834fe3b2Axel Kohlmeyer
add documentation for pair style agni 
Nov 12 2016
d0124eac95e1Axel Kohlmeyer
optimized data access and using approximate exponential for USER-OMP version 
Nov 12 2016
5685131fe233Axel Kohlmeyer
add USER-OMP version of pair style agni 
Nov 12 2016
22fc92f9d87dAxel Kohlmeyer
use special ev_tally() function suitable for this kind of force compute 
Nov 12 2016
b9770766a854Axel Kohlmeyer
add adatom and vacancy examples for AGNI pair style 
Nov 12 2016
9cc0c8badd0aAxel Kohlmeyer
error exit when requested element is not in potential file 
Nov 12 2016
6e1492a86c78Axel Kohlmeyer
add potential file for pair style AGNI 
Nov 12 2016
9b0987d8c4a7Axel Kohlmeyer
first complete implementation of AGNI pair style 
Nov 11 2016
e453adaf8118Axel Kohlmeyer
implemented parser for 1 element potential files 
Nov 11 2016
8e0fd8869724Axel Kohlmeyer
add example demonstrating the use of fix addtorque 
Nov 11 2016
fdcabd7d1dceAxel Kohlmeyer
fix addtorque is compatible with dynamic groups 
Nov 11 2016
c5c8c50e97f8Axel Kohlmeyer
initialize 'nper' 
Nov 11 2016
72b0841b28c1Axel Kohlmeyer
Merge branch 'doc-updates' of github.com:akohlmey/lammps into doc-updates 
Nov 11 2016
801111a7abfaAxel Kohlmeyer
dummy framework implementation for AGNI pair style 
Nov 10 2016
bfc478c32049Axel Kohlmeyer
simpler variant of the segfault workaround, that does not offend Clang c++. 
Nov 10 2016
2b75ee761defAxel Kohlmeyer
avoid segmentation fault, when creating a LAMMPS instance from the library… 
Nov 10 2016
352e177fcd83Axel Kohlmeyer
Merge branch 'master' into small-fixes-and-updates 
Nov 10 2016
c20ee34c7b82Anders Hafreager
Initializing pointers in VORONOI 
Nov 10 2016
95a7f7160e6fAnders Hafreager
Initialize pointers in POEMS 
Nov 10 2016
1f38e1a7717dAxel Kohlmeyer
Merge branch 'master' into doc-updates 
Nov 10 2016
9806da69f3f9Steve Plimpton
Stan bug fixes for fix reaxc/bonds/kk 
Nov 9 2016
fec87c070dd8Axel Kohlmeyer
simplify compiling USER-INTEL package, by defaulting to -DLAMMPS_MEMALIGN=64 in… 
Nov 9 2016
3d3a99c082f7Axel Kohlmeyer
added missing potential for tersoff/mod/c 
Nov 9 2016
3e36ec37542cAxel Kohlmeyer
remove unused class member 
Nov 9 2016
9ed5c4f0fa98Axel Kohlmeyer
Merge branch 'master' into kokkos-vashishta 
Nov 9 2016
c55fd502e0b9Axel Kohlmeyer
correct typo in formula 
Nov 9 2016
71ee2ecaa1e0Axel Kohlmeyer
integrate pair style tersoff/mod/c contributed by Ganga P Purja Pun (GMU) 
Nov 9 2016
bfea3dce7dabsjplimp/GitHub
Merge pull request #268 from arielzn/born_dsf 
Nov 9 2016
eef862ee1c47sjplimp/GitHub
Merge pull request #267 from akohlmey/pager-help 
Nov 9 2016
0cc2fbf1d6dbsjplimp/GitHub
Merge pull request #266 from andeplane/IP_USER_OMP 
Nov 9 2016
ae006669941esjplimp/GitHub
Merge pull request #265 from andeplane/IP_DIFF_DPD 
Nov 9 2016
51b3b5fb359csjplimp/GitHub
Merge pull request #264 from andeplane/IP_SNAP_SRD 
Nov 9 2016
176f2c3aa197sjplimp/GitHub
Merge pull request #263 from andeplane/IP_RIGID_SHOCK 
Nov 9 2016
3f71bfb18570sjplimp/GitHub
Merge pull request #262 from andeplane/IP_PERI_QEQ_REPLICA 
Nov 9 2016
cf3ab5167915sjplimp/GitHub
Merge pull request #261 from andeplane/IP_MISC_MOLECULE 
Nov 9 2016
59922f894b18sjplimp/GitHub
Merge pull request #260 from andeplane/IP_MANYBODY_MC 
Nov 9 2016
5e2b9d8bf32dsjplimp/GitHub
Merge pull request #259 from andeplane/IP_KSPACE 
Nov 9 2016
2d132cad6b77sjplimp/GitHub
Merge pull request #258 from andeplane/IP_GRANULAR 
Nov 9 2016

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