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Diffusion lammps (master) Graph

lammps/examples/USER
master

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CommitAuthorDetailsCommitted
281b1dc37571Steve Plimpton
small updates to recently added docs and rename of an example dir 
Oct 18 2017
e93f8f888975Steve Plimpton/GitHub
Merge pull request #671 from danicholson/user-uef 
Oct 18 2017
957263431aafUlf R. Pedersen/GitHub
Ensure consistency with documentation 
Oct 4 2017
f07719e924b2Axel Kohlmeyer
make fix rhok examples more consistent with LAMMPS conventions: 
Oct 3 2017
5f527091b8a6Ulf R. Pedersen/GitHub
Update readme.md 
Oct 3 2017
30aaa7e47bb5Ulf R. Pedersen/GitHub
Update readme.md 
Oct 3 2017
74dcf0bf9bfcUlf R. Pedersen/GitHub
Update readme.md 
Oct 3 2017
e9b07a7a1092Ulf R. Pedersen/GitHub
Update readme.md 
Oct 3 2017
fd8f5f8f9e48Ulf R. Pedersen/GitHub
Update readme.md 
Oct 3 2017
5c59eb637bcaUlf R. Pedersen/GitHub
Update readme.md 
Oct 3 2017
250ef9f837beUlf R. Pedersen/GitHub
Update readme.md 
Oct 3 2017
e44f370d4949Ulf R. Pedersen/GitHub
Update readme.md 
Oct 3 2017
1e790fbafef8Ulf R. Pedersen/GitHub
Update readme.md 
Oct 3 2017
35cc79597261Ulf R. Pedersen/GitHub
Update in.setup 
Oct 3 2017
245bf745521dUlf R. Pedersen/GitHub
Rename setup.lmp to in.setup 
Oct 3 2017
7e8bbe84814bUlf R. Pedersen/GitHub
Rename pinning.lmp to in.pinning 
Oct 3 2017
e6d687faaca5Ulf R. Pedersen/GitHub
Rename crystal.lmp to in.crystal 
Oct 3 2017
1dffb0cf82adDavid Nicholson
reran npt_biaxial examples 
Oct 3 2017
00aef0fe0014Axel Kohlmeyer
rerun logfiles for USER-UEF example inputs 
Oct 2 2017
4ef63feea7d3David Nicholson
reran examples 
Sep 29 2017
855b6000efcbDavid Nicholson
initial commit. doc is in the works 
Sep 28 2017
f1aea57e300eUlf R. Pedersen/GitHub
Update readme.md 
Sep 25 2017
b35f2ff8b44bUlf R. Pedersen
Example of Interface Pinning Computation 
Sep 25 2017
3381a4337887Ulf R. Pedersen
Added readme.m 
Sep 21 2017
73708b091c42Ulf R. Pedersen
Added readme file, and removed old files 
Sep 21 2017
5f1842829e48Axel Kohlmeyer
activate virial contribution in `fix lb/rigid/pc/sphere` by default and protect… 
Sep 18 2017
4161868bcf69Steve Plimpton/GitHub
Merge pull request #640 from ohenrich/user-cgdna 
Sep 6 2017
b1706060529bSteve Plimpton/GitHub
Merge pull request #620 from amilumas/master 
Sep 5 2017
12fe614ddf58Oliver Henrich
Added sequence-dependent stacking and base-pairing strength 
Sep 5 2017
4d2ed30b3526Axel Kohlmeyer
add reference outputs to temper/npt example 
Aug 31 2017
f3dda30f8ef3Axel Kohlmeyer
fully integrate temper/npt command into manual 
Aug 31 2017
a5b65c1af48cJulien Devemy
Mods for extra/special/per/atom and add toluene 
Aug 31 2017
6a4bbddb3b7aAmulya/GitHub
Add files via upload 
Aug 28 2017
2add18e013ddAmulya/GitHub
Create in.temper_npt 
Aug 28 2017
f945d4567d4fSteve Plimpton
new USER-MESO package 
Aug 19 2017
7d0d701eaf09Axel Kohlmeyer
add reference outputs for QUIP/GAP example 
Jul 28 2017
85120842dd84Axel Kohlmeyer
update QUIP examples to closer match typical LAMMPS examples 
Jul 28 2017
1ddace4dba51sjplimp/GitHub
Merge pull request #595 from libAtoms/idces2quip 
Jul 24 2017
1afab981b022Max Veit
Clarified some points in in.molecular example 
Jul 22 2017
1af937e99d71Axel Kohlmeyer/GitHub
Update in.molecular 
Jul 22 2017
4e0a249e2779Max Veit
Add a (contrived) molecular example for USER-QUIP 
Jul 22 2017
1c92eecea7fcAxel Kohlmeyer
move updated gauss_flow example to the correct folder 
Jul 14 2017
4d4c03a1e4f5Axel Kohlmeyer
restore gaussian flow example that was lost. tweak input to make it usable for… 
Jul 14 2017
d3a45f6d5057sjplimp/GitHub
Merge pull request #560 from aershadinia/master 
Jul 13 2017
7193fffe0d1cAxel Kohlmeyer
make example input / output conform with LAMMPS conventions (no dump files, no… 
Jul 6 2017
47649ff50f3aAbdo
some edits to make examples more illustrative. 
Jul 6 2017
d451dbb1a079Axel Kohlmeyer
adjust EES wall input example to print out some thermodynamic info that can be… 
Jul 5 2017
8e279d4ec84eAbdo
Examples moved 
Jul 5 2017
b0ddabbcde94Axel Kohlmeyer
update examples for fix filter/corotate to comply with new CHARMM restrictions 
Jun 22 2017
1a29048940e9sjplimp/GitHub
Merge pull request #531 from ohenrich/user-cgdna 
Jun 15 2017
0a6b3f87901csjplimp/GitHub
Merge pull request #527 from dstelter92/master 
Jun 15 2017
a4bc233d8631sjplimp/GitHub
Merge pull request #525 from akohlmey/user-tally-refactor 
Jun 15 2017
c98bb7fa5f2aOliver Henrich
Corrected minor bug in utility script 
Jun 15 2017
77ca68a2b4daOliver Henrich
Changed affiliation 
Jun 15 2017
e7634a44f442dstelter92
updated thermo_modify in example 
Jun 14 2017
3214d639aa2edstelter92
removed unneeded .gitignore 
Jun 14 2017
0ad66ecb89dcdstelter92
Added compute_scalar to fix_grem for easier output managment, updated example… 
Jun 14 2017
7a05d87f7c47Axel Kohlmeyer
update USER-TALLY examples 
Jun 13 2017
2b3c124e61d7Axel Kohlmeyer
add example input for compute cnp/atom 
May 31 2017
35e92733e9daAxel Kohlmeyer
import multi-element compatible pair style edip as edip/multi 
May 16 2017
7c3b8e014c7bSteve Plimpton
rename some USER/misc dirs 
May 11 2017
d7f54464c628sjplimp/GitHub
Merge pull request #474 from rbberger/dump_vtk_fixes 
May 11 2017
deff6ffaac3bsjplimp/GitHub
Merge pull request #466 from DallasTrinkle/meam-spline-multicomponent 
May 11 2017
4ecf876a6453Richard Berger
Added two examples of using the VTK dump style 
May 11 2017
d0da0639f02bAxel Kohlmeyer
add a couple of simple example single/multi-elment inputs for meam/spline pair… 
May 9 2017
addd87c0f7a4Steve Plimpton
new Section package and start doc pages and build scripts 
May 4 2017
949d61e01edaAxel Kohlmeyer
rename examples folder for USER-CGSDK package 
Apr 27 2017
604afebf6fefOliver Henrich
Update to oxDNA2 
Mar 28 2017
8afed61db1c8Oliver Henrich
Upgrade to oxDNA2 
Mar 28 2017
568b67eee9cbAxel Kohlmeyer
include citation for reference paper into pair style momb 
Mar 23 2017
865b41e2014eAxel Kohlmeyer
make pair style momb example follow LAMMPS conventions more closely 
Mar 23 2017
02e65900e6efTonnam Balankura
add example log file generated from 17Nov16 version of lammps, make minimize… 
Mar 23 2017
1075be7eca96Tonnam Balankura
rename zhou to momb in examples 
Mar 23 2017
43f27250b5a5Axel Kohlmeyer
Merge branch 'add-pair-zhou' of https://github.com/tonnamb/lammps into pull-417 
Mar 22 2017
743508437575Oliver Henrich
Verified oxDNA with modified nucleotide layout 
Mar 22 2017
5c39dfd74089dstelter92
re-ran example with fixed exchanges 
Mar 20 2017
d04ea8653deaTonnam Balankura
add examples for pair_zhou 
Mar 19 2017
bed288339e74Axel Kohlmeyer
simplify and shorten examples for fix filter/corotate and combine into a single… 
Mar 16 2017
8f37285b056aAbdoreza Ershadinia/GitHub
UPLOAD examples 
Mar 16 2017
ef72145540a5Abdoreza Ershadinia/GitHub
Readme for examples 
Mar 16 2017
0d8f74f0c52eAxel Kohlmeyer
Merge branch 'filter_corotate' of https://github.com/lukin17/lammps into pull… 
Mar 15 2017
c3ce3747e049lukin17
Added fix filter/corotate. 
Mar 15 2017
7a75cd111c3dOliver Henrich
Minor updates in documentation and setup tool, merge before upgrade to oxDNA2 
Mar 14 2017
23b828793333Oliver Henrich
Updated documentation and simple setup tool 
Mar 14 2017
920641bbffbcsjplimp/GitHub
Merge pull request #399 from rbberger/docs_spelling_fixes 
Mar 7 2017
4af6557568e7sjplimp/GitHub
Merge pull request #394 from jaapkroe/kolmogorov-crespi 
Mar 7 2017
0798885bdb2asjplimp/GitHub
Merge pull request #389 from akohlmey/update-agni-potential 
Mar 7 2017
efaa4c67109fSteve Plimpton
new neigh_modify exclude option, other SNAP changes 
Mar 7 2017
d6800405a518Richard Berger
Fix more typos in examples 
Mar 7 2017
17486a9319f8Richard Berger
Convert USER/lb/polymer files to UNIX line endings and remove trailing… 
Mar 6 2017
778a79b8eef7Richard Berger
Fix typos in examples folder 
Mar 6 2017
a1b40b902d3eJaap Kroes
Added Kolmogorov-Crespi potential 
Feb 28 2017
9999f363a1f8Axel Kohlmeyer
remove outdated log files, too. 
Feb 24 2017
a18b4ef4b0cfAxel Kohlmeyer
update AGNI potential for Al, reference runs and output and citation 
Feb 24 2017
3af4b3c28c8bsjplimp/GitHub
Merge pull request #337 from ohenrich/user-cgdna 
Jan 18 2017
c52a26382f89sjplimp/GitHub
Merge pull request #339 from akohlmey/fixes-for-srp-example 
Jan 17 2017
1b9e50c8cbaasjplimp/GitHub
Merge pull request #331 from timattox/USER-DPD_fix_example_typo 
Jan 17 2017
5cd856c97f97Steve Plimpton
fix spring doc page update 
Jan 17 2017
0a2b78acb877Axel Kohlmeyer
rather than adjusting the communication cutoff, we just print out the minimum… 
Jan 16 2017
8360e70f4ebdAxel Kohlmeyer
update USER-CGDNA examples to follow LAMMPS style 
Jan 14 2017
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