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Diffusion lammps (lammm-devel) Graph

lammps/examples
lammm-devel

History Graph

CommitAuthorDetailsCommitted
7a05d87f7c47Axel Kohlmeyer
update USER-TALLY examples 
Jun 13 2017
bab292b551baSebastian Hütter
Create package USER-MEAMC 
Jun 11 2017
e03cc994673eEmile Maras
made the command options more lammps standard style 
Jun 2 2017
2b3c124e61d7Axel Kohlmeyer
add example input for compute cnp/atom 
May 31 2017
22fdb1fc1407Steve Plimpton
SNAP changes by Aidan 
May 30 2017
c904cfb8bc5fEmile Maras
removed a bug in fix_neb.cpp which prevented the freeend to work properly, plus… 
May 29 2017
32c87f313180Emile Maras
removed a bug in fix_neb.cpp which prevented the freeend to work properly, plus… 
May 29 2017
8bc829c7f19eAxel Kohlmeyer
change example inputs to be backward compatible 
May 22 2017
654e09e999b8Axel Kohlmeyer
correct input examples affected by the Pair::settings() bugfix 
May 19 2017
6ac9b7a1b070sjplimp/GitHub
Merge pull request #482 from akohlmey/add-pair-python 
May 18 2017
0208fe9996beAxel Kohlmeyer
update example outputs 
May 18 2017
8d46aa605606Axel Kohlmeyer
add readme file to discuss various python pair style usage examples 
May 18 2017
09f3b687f7d7Axel Kohlmeyer
new long-rance example with using hybrid/overlay and table only for lj part 
May 18 2017
436d3fd76188Axel Kohlmeyer
make hybrid example use half the atoms with python, half with lj/cut 
May 18 2017
9833f38499a0Axel Kohlmeyer
change coulomb example to use cutoff coulomb 
May 18 2017
67962b15fc07Axel Kohlmeyer
a bunch refactoring changes in the python pair style and the examples 
May 18 2017
1d48f287f00aAxel Kohlmeyer
add partial documentation for pair style python 
May 18 2017
43efe9e417eeAxel Kohlmeyer
adding Pair::single() support to python pair style and examples 
May 17 2017
a34c935e207bAxel Kohlmeyer
update log files in python pair style example 
May 17 2017
13e16dc3f14aAxel Kohlmeyer
update log files for pair style python examples 
May 17 2017
96f0a82aa5adAxel Kohlmeyer
simplify class names in pair style python examples. add SPC/E water example 
May 17 2017
7caf6cf459d3Richard Berger
Change how a Python pair style is loaded 
May 17 2017
35e92733e9daAxel Kohlmeyer
import multi-element compatible pair style edip as edip/multi 
May 16 2017
14f3deed6b83Richard Berger
Minor coefficient lookup improvement 
May 16 2017
93cc6f4a5defRichard Berger
Use in syntax for key lookup for Python 3 compatibility 
May 15 2017
6a1f7e61f2afAxel Kohlmeyer
provide reference output for python pair style inputs 
May 15 2017
df55a90ef666Axel Kohlmeyer
some example input file tweaks 
May 15 2017
f484ab6dfb9cAxel Kohlmeyer
completed lj parameter set and compute functions for melt example 
May 15 2017
86283c6309adAxel Kohlmeyer
make melt input consistent with melt example again 
May 15 2017
34cc3946b8d9Axel Kohlmeyer
first few pieces of pair style python 
May 15 2017
06c151421c4fsjplimp/GitHub
Merge pull request #478 from akohlmey/add-python-source-cmd 
May 12 2017
c4d0f0709331Richard Berger
Allow fix python to only execute every N steps 
May 12 2017
110bb79b14ccRichard Berger
Implement fix python mentioned in issue #454 
May 12 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
f8af7edf927bRichard Berger
Merge remote-tracking branch 'upstream/master' into python_refactoring 
May 6 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
2f32fb7f8bdaSteve Plimpton
patch 13Apr17 
Apr 13 2017
9a027a01daf8Richard Berger
Add Python 3 compatibility to PYTHON package 
Apr 12 2017
4da8c1c4e2beSteve Plimpton
patch 11Apr17 
Apr 11 2017
9f6e126a2f2esjplimp/GitHub
Merge pull request #437 from ohenrich/user-cgdna 
Mar 28 2017
111d350a223fSteve Plimpton
fix gcmc units change for chemical potential 
Mar 28 2017
604afebf6fefOliver Henrich
Update to oxDNA2 
Mar 28 2017
8afed61db1c8Oliver Henrich
Upgrade to oxDNA2 
Mar 28 2017
394e9b42b06aSteve Plimpton
new CHARMM pair styles with force swithing/shifting 
Mar 24 2017
277b93cb8956sjplimp/GitHub
Merge pull request #417 from tonnamb/add-pair-zhou 
Mar 24 2017
44841f689127Steve Plimpton
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof 
Mar 23 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
48ed963fd2f4Christian Negre
latte in added 
Mar 1 2017
1025c25548f1Christian Negre
latte.in added 
Mar 1 2017
78a8f75a8f31Christian Negre
params added 
Mar 1 2017
9736fb3be845Christian Negre
added sucrose latte min example 
Feb 28 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
2dcbc805ba62Christian Negre
min latte partially fixed 
Feb 24 2017
429264a12bacsjplimp/GitHub
Merge pull request #380 from hheenen/core_shell_documentation 
Feb 21 2017
1cd4c48cccdbSteve Plimpton
new SNAP potential for W 
Feb 21 2017
48070011d9b7Axel Kohlmeyer/GitHub
update names in example, too 
Feb 14 2017
6b923476b96cHendrik Heenen
updated documentation and examples for coreshell 
Feb 14 2017
0068ef56168fSteve Plimpton
added molecule option to compute group/group command 
Feb 10 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
973bef4d4527sjplimp/GitHub
Merge pull request #332 from akohlmey/coord-atom-orientorder-atom-enhancements 
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
96259ea2d2bdOliver Henrich
Added source code and documentation for USER-CGDNA 
Jan 13 2017
622d9268491dAxel Kohlmeyer
adapt example inputs for TAD and PRD to the change in compute coord/atom 
Jan 10 2017
d06688bb9170Tim Mattox
USER-DPD: fix a typo in the DPD-H example input; update reference output. 
Jan 10 2017
c31f1e9f2252Steve Plimpton
add fix mscg command, example, lib 
Jan 9 2017
c301d70333a9Tim Mattox
USER-DPD: update example input and output (see commits 3faa57 and eff7238) 
Dec 22 2016
ba96fcc15a3fTim Mattox
USER-DPD: update reference output to reflect changes from commit eff7238 
Dec 22 2016
647c6f00ce2bAxel Kohlmeyer
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into… 
Nov 22 2016
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