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4d4c03a1e4
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restore gaussian flow example that was lost. tweak input to make it usable for comparing
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2017-07-14 12:33:40 -04:00 |
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d3a45f6d50
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Merge pull request #560 from aershadinia/master
EES wall potential
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2017-07-13 11:22:47 -06:00 |
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7193fffe0d
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make example input / output conform with LAMMPS conventions (no dump files, no log command) and update reference outputs
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2017-07-06 16:08:25 -04:00 |
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47649ff50f
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some edits to make examples more illustrative.
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2017-07-06 15:35:06 +09:00 |
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d451dbb1a0
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adjust EES wall input example to print out some thermodynamic info that can be used for testing
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2017-07-05 13:54:56 -04:00 |
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8e279d4ec8
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Examples moved
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2017-07-05 23:16:42 +09:00 |
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b0ddabbcde
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update examples for fix filter/corotate to comply with new CHARMM restrictions
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2017-06-22 00:19:21 -04:00 |
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1a29048940
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Merge pull request #531 from ohenrich/user-cgdna
Affiliation Update for USER-CGDNA
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2017-06-15 08:54:52 -06:00 |
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0a6b3f8790
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Merge pull request #527 from dstelter92/master
Added compute_scalar to fix_grem
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2017-06-15 08:54:22 -06:00 |
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a4bc233d86
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Merge pull request #525 from akohlmey/user-tally-refactor
Refactoring of USER-TALLY computes to handle sparse/hybrid system for many processors plus bugfixes
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2017-06-15 08:51:24 -06:00 |
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c98bb7fa5f
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Corrected minor bug in utility script
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2017-06-15 12:57:44 +01:00 |
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77ca68a2b4
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Changed affiliation
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2017-06-15 12:52:19 +01:00 |
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e7634a44f4
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updated thermo_modify in example
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2017-06-14 13:11:54 -04:00 |
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3214d639aa
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removed unneeded .gitignore
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2017-06-14 12:26:52 -04:00 |
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0ad66ecb89
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Added compute_scalar to fix_grem for easier output managment, updated example to show use
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2017-06-14 12:18:22 -04:00 |
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7a05d87f7c
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update USER-TALLY examples
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2017-06-12 22:20:36 -04:00 |
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2b3c124e61
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add example input for compute cnp/atom
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2017-05-31 00:43:53 -04:00 |
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35e92733e9
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import multi-element compatible pair style edip as edip/multi
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2017-05-16 17:40:59 -04:00 |
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7c3b8e014c
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rename some USER/misc dirs
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2017-05-11 10:15:28 -06:00 |
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d7f54464c6
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Merge pull request #474 from rbberger/dump_vtk_fixes
Various dump vtk fixes
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2017-05-11 09:25:42 -06:00 |
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deff6ffaac
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Merge pull request #466 from DallasTrinkle/meam-spline-multicomponent
Meam spline multicomponent
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2017-05-11 09:22:25 -06:00 |
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4ecf876a64
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Added two examples of using the VTK dump style
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2017-05-10 19:52:00 -04:00 |
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d0da0639f0
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add a couple of simple example single/multi-elment inputs for meam/spline pair styles
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2017-05-09 15:51:59 -04:00 |
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addd87c0f7
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new Section package and start doc pages and build scripts
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2017-05-04 11:22:20 -06:00 |
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949d61e01e
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rename examples folder for USER-CGSDK package
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2017-04-26 19:26:27 -04:00 |
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604afebf6f
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Update to oxDNA2
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2017-03-28 18:22:02 +01:00 |
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8afed61db1
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Upgrade to oxDNA2
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2017-03-28 18:16:36 +01:00 |
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568b67eee9
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include citation for reference paper into pair style momb
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2017-03-23 12:00:53 -04:00 |
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865b41e201
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make pair style momb example follow LAMMPS conventions more closely
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2017-03-23 11:50:10 -04:00 |
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02e65900e6
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add example log file generated from 17Nov16 version of lammps, make minimize and run short in system.in
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2017-03-23 11:03:00 -04:00 |
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1075be7eca
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rename zhou to momb in examples
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2017-03-23 10:18:15 -04:00 |
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43f27250b5
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Merge branch 'add-pair-zhou' of https://github.com/tonnamb/lammps into pull-417
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2017-03-22 14:05:16 -04:00 |
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7435084375
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Verified oxDNA with modified nucleotide layout
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2017-03-22 15:59:10 +00:00 |
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5c39dfd740
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re-ran example with fixed exchanges
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2017-03-20 09:22:09 -04:00 |
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d04ea8653d
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add examples for pair_zhou
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2017-03-18 21:21:25 -04:00 |
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bed288339e
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simplify and shorten examples for fix filter/corotate and combine into a single folder
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2017-03-16 15:02:50 -04:00 |
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8f37285b05
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UPLOAD examples
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2017-03-16 21:12:10 +09:00 |
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ef72145540
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Readme for examples
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2017-03-16 21:10:41 +09:00 |
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0d8f74f0c5
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Merge branch 'filter_corotate' of https://github.com/lukin17/lammps into pull-416
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2017-03-15 18:54:41 -04:00 |
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c3ce3747e0
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Added fix filter/corotate.
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2017-03-15 11:34:01 +01:00 |
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7a75cd111c
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Minor updates in documentation and setup tool, merge before upgrade to oxDNA2
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2017-03-14 11:39:09 +00:00 |
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23b8287933
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Updated documentation and simple setup tool
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2017-03-14 11:36:44 +00:00 |
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920641bbff
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Merge pull request #399 from rbberger/docs_spelling_fixes
Correct spelling errors in documentation
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2017-03-07 09:47:22 -07:00 |
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4af6557568
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Merge pull request #394 from jaapkroe/kolmogorov-crespi
Added Kolmogorov-Crespi potential
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2017-03-07 09:46:08 -07:00 |
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0798885bdb
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Merge pull request #389 from akohlmey/update-agni-potential
update AGNI potential for Al, reference runs and output and citation
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2017-03-07 09:35:31 -07:00 |
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efaa4c6710
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new neigh_modify exclude option, other SNAP changes
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2017-03-07 09:31:12 -07:00 |
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d6800405a5
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Fix more typos in examples
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2017-03-07 00:57:23 -05:00 |
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17486a9319
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Convert USER/lb/polymer files to UNIX line endings and remove trailing whitespace
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2017-03-05 21:16:21 -05:00 |
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778a79b8ee
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Fix typos in examples folder
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2017-03-05 21:10:33 -05:00 |
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a1b40b902d
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Added Kolmogorov-Crespi potential
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2017-02-28 14:59:13 +01:00 |
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