ca032f21fb
Add Kokkos threaded reverse comm option
2017-10-03 10:14:24 -06:00
1bb7af9ef9
integrate fix rhok into the LAMMPS source code management and documentation system
2017-10-03 10:45:08 -04:00
5e89269631
Minor adjustments to intel makefiles and documentation based on the reversed
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preprocessor logic and default memory align. Removing knl_coprocessor makefile.
2017-10-02 23:41:14 -07:00
11eed234f0
include dump cfg/uef in commands toctree
2017-10-03 00:14:34 -04:00
af1fc45db0
added citation to doc
2017-10-03 00:04:52 -04:00
466fde6443
update documentation for the reversal in the INTEL_MKL_RNG define
2017-10-02 21:20:26 -04:00
92d9b361fc
include USER-UEF styles in PDF version of manual
2017-10-02 17:39:59 -04:00
cf24dd0265
Adding pair style dpd/intel and dihedral style fourier/intel
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Adding raw performance numbers for Skylake xeon server.
Fixes for using older Intel compilers and compiling without OpenMP.
Fix adding in hooks for using USER-INTEL w/ minimization.
2017-10-02 04:53:17 -07:00
a7b0d1f521
DOC: Corrected syntax for appending at certain frame (NetCDF only)
2017-10-01 14:40:19 +02:00
da7be99cc4
DOC: Added multi file example.
2017-10-01 14:28:20 +02:00
2a06b75af8
doc revisions
2017-09-29 15:36:41 -04:00
c66ddf9ac0
Update fix_rhok.txt
2017-09-29 08:03:02 +02:00
480b087c93
doc edits, README, and citeme
2017-09-28 18:31:51 -04:00
0029583463
doc edits i missed in earlier commit
2017-09-28 17:46:39 -04:00
80898b8695
first draft of doc done
2017-09-28 17:42:02 -04:00
855b6000ef
initial commit. doc is in the works
2017-09-28 16:34:18 -04:00
10d1741e7f
Update fix_rhok.txt
2017-09-28 18:38:25 +02:00
d11733d3a0
typo in equation
2017-09-28 18:28:46 +02:00
75b3f34a58
Update documentation
2017-09-28 18:16:06 +02:00
fe80c57bde
more documentation
2017-09-28 17:01:12 +02:00
e49f0e396b
Create fix_rhok.txt
2017-09-28 16:24:26 +02:00
37e55a825b
Create fix_rhok.txt
2017-09-28 16:20:03 +02:00
de45fa6e71
correct bogus links in LATTE docs
2017-09-26 18:25:37 -04:00
bfdc4acb8b
add missing entry for pdf version of manual
2017-09-26 16:53:36 -04:00
fd3ecd0481
fix typo in formatting
2017-09-26 16:52:24 -04:00
8bba6d3e8c
correct formatting and broken/colliding link issues with LATTE package related documentation
2017-09-26 16:52:10 -04:00
f2c1172741
patch 22Sep17
2017-09-22 15:46:34 -06:00
ee487ef4aa
Merge pull request #652 from junghans/latte
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Add LATTE fix
2017-09-22 10:32:19 -06:00
a8ae886667
update fix latte examples and virial
2017-09-21 10:40:54 -06:00
dd49d54889
new SNAP potentials and examples
2017-09-20 08:54:30 -06:00
fbaa7ab8fa
Merge pull request #655 from akohlmey/fixes-for-patch
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collected small bugfixes for the next patch release
2017-09-20 08:51:47 -06:00
2e9803efb3
Merge pull request #645 from akohlmey/kokkos-makefile-updates
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Some small kokkos makefile updates
2017-09-20 08:40:20 -06:00
76d93f21dd
add fix latte command to doc pages
2017-09-19 16:55:08 -06:00
ac897ea645
LATTE package doc update and some small code changes
2017-09-19 16:27:25 -06:00
cdb6ec7419
reverse the pre-processor logic of the LRT mode define
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with this change, the USER-INTEL package can be installed and
compiled without having to alter makefiles for adding -lpthread.
All "intel optimized" makefiles have been updated to have the
LRT feature enabled. This change will allow us to include the
USER-INTEL package in several automated testing configurations
and thus allows to detect incompatibilities and compilation issus faster.
2017-09-19 11:24:05 -04:00
d101fe3e79
Merge pull request #649 from akohlmey/fix-virial-aidan
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Add support for selected fixes to optionally contribute to the virial
2017-09-15 15:25:09 -06:00
99e5dc7104
add support for fix_modify virial yes to fix smd
2017-09-15 01:21:16 -04:00
ccb67d8dc5
correct cut-n-paste errors in the documentation of fix_modify virial
2017-09-15 01:20:56 -04:00
2cd7cbd964
correct cut-n-paste error, add docs
2017-09-15 00:54:19 -04:00
e196a2b9e5
import changes to various fixes by aidan to include virial contributions
2017-09-11 22:24:06 -04:00
366d087027
update docs for changes to makefiles
2017-09-06 14:20:24 -04:00
fe557cb882
fix typo in commands table
2017-09-06 11:35:52 -04:00
c80203cb01
Merge pull request #641 from lammps/doc-tweak
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small update to docs for new commands
2017-09-06 08:52:51 -06:00
4161868bcf
Merge pull request #640 from ohenrich/user-cgdna
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USER-CGDNA - sequence-dependent stacking and h-bonding strength
2017-09-06 08:52:05 -06:00
99791ce01c
Merge pull request #632 from timattox/USER-DPD_kokkos_merge
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Add Kokkos version of the USER-DPD package
2017-09-06 08:50:43 -06:00
d886cc91f3
fix syntax error in fix saed/vtk docs example
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This addresses the issue reported on github
by @subhammridha closes thus clodes #642
2017-09-05 17:45:56 -04:00
45602e58f9
fix another couple of typos
2017-09-05 12:48:28 -04:00
cd72532fb9
fix typo
2017-09-05 12:47:34 -04:00
b170606052
Merge pull request #620 from amilumas/master
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Temper_NPT
2017-09-05 10:08:55 -06:00
65b295e826
Merge pull request #638 from jdevemy/master
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Mods for extra/special/per/atom and add toluene
2017-09-05 10:05:49 -06:00
