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f484ab6dfb
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completed lj parameter set and compute functions for melt example
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2017-05-15 00:14:36 -04:00 |
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86283c6309
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make melt input consistent with melt example again
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2017-05-15 00:13:32 -04:00 |
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34cc3946b8
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first few pieces of pair style python
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2017-05-14 18:29:06 -04:00 |
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06c151421c
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Merge pull request #478 from akohlmey/add-python-source-cmd
Add python support features
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2017-05-12 13:28:20 -06:00 |
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c4d0f07093
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Allow fix python to only execute every N steps
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2017-05-12 00:29:58 -04:00 |
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110bb79b14
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Implement fix python mentioned in issue #454
Allows to call a python function at defined points in the integration loop
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2017-05-11 23:50:30 -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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f8af7edf92
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Merge remote-tracking branch 'upstream/master' into python_refactoring
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2017-05-06 16:00:22 -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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2f32fb7f8b
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patch 13Apr17
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2017-04-13 11:19:48 -06:00 |
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9a027a01da
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Add Python 3 compatibility to PYTHON package
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2017-04-11 20:24:42 -04:00 |
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4da8c1c4e2
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patch 11Apr17
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2017-04-11 09:00:37 -06:00 |
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9f6e126a2f
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Merge pull request #437 from ohenrich/user-cgdna
User cgdna
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2017-03-28 12:52:26 -06:00 |
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111d350a22
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fix gcmc units change for chemical potential
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2017-03-28 12:34:46 -06:00 |
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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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394e9b42b0
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new CHARMM pair styles with force swithing/shifting
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2017-03-24 13:53:07 -06:00 |
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277b93cb89
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Merge pull request #417 from tonnamb/add-pair-zhou
add new pair potential for metal-organic interactions - pair style momb
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2017-03-24 09:41:30 -06:00 |
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44841f6891
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fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
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2017-03-23 15:31:27 -06:00 |
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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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48ed963fd2
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latte in added
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2017-03-01 12:05:00 -07:00 |
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1025c25548
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latte.in added
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2017-03-01 09:55:33 -07:00 |
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78a8f75a8f
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params added
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2017-03-01 09:53:50 -07:00 |
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9736fb3be8
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added sucrose latte min example
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2017-02-28 10:40:46 -07:00 |
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