af1fc45db0
added citation to doc
2017-10-03 00:04:52 -04:00
92d9b361fc
include USER-UEF styles in PDF version of manual
2017-10-02 17:39:59 -04:00
2a06b75af8
doc revisions
2017-09-29 15:36:41 -04:00
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
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
89a0bc947f
small update to docs for new commands
2017-09-05 10:04:20 -06:00
c8967a335f
Included hyperlink to package
2017-09-05 11:45:32 +01:00
2105145f55
More minor changes
2017-09-05 11:40:36 +01:00
f7715ab6ce
Added comment about optimised damping coefficient for BD
2017-09-05 11:35:26 +01:00
12fe614ddf
Added sequence-dependent stacking and base-pairing strength
2017-09-05 10:48:38 +01:00
2b9646097c
Merge branch 'master' of github.com:lammps/lammps
2017-09-01 09:16:11 -06:00
f58088ae61
patch 1Sep17
2017-09-01 09:15:37 -06:00
f3dda30f8e
fully integrate temper/npt command into manual
2017-08-31 13:53:40 -04:00
a5b65c1af4
Mods for extra/special/per/atom and add toluene
2017-08-31 15:03:04 +02:00
f57d194920
Add files via upload
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documentation for temper/npt
2017-08-29 10:40:37 -04:00
736e063971
Merge branch 'master' ( 21893539cb Aug 25) into USER-DPD_kokkos_merge
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Resolved conflicts in src/KOKKOS/npair_kokkos.cpp
2017-08-28 14:46:50 -05:00
81ba181349
tweak an eq in USER-MESO, also allow neigh to be built w/out styles
2017-08-25 17:04:36 -06:00
e52a28f8af
Update docs for Kokkos version of USER-DPD package
2017-08-25 16:20:42 -06:00
6db3bd87ee
correct typo in header formatting
2017-08-23 17:52:09 -04:00
7b7a5076d0
Merge pull request #624 from akohlmey/compute-fragment
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Add computes fragment/atom and aggregate/atom
2017-08-23 14:14:33 -06:00
f7a0a6eb70
Merge pull request #622 from akohlmey/collected-small-fixes
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Collected small fixes
2017-08-23 14:12:45 -06:00
97edf90a73
update fix qeq docs for the new, more flexible parameter file format
2017-08-23 11:22:09 -04:00
cdfb1aa043
make links unique, fix doc format warnings and add entries to administrative files
2017-08-23 00:39:52 -04:00
b80752a40c
restore changes to read_data docs, that would have been lost due to merging an outdated version
2017-08-23 00:01:19 -04:00
