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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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1995f434f3
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fix some more code formatting issues, add newline at EOF
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2017-03-16 14:24:28 -04:00 |
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db0281b4df
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Merge branch 'filter_corotate' of https://github.com/lukin17/lammps into pull-416
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2017-03-16 12:14:09 -04:00 |
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2f5e711acd
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Merge remote-tracking branch 'upstream/master' into filter_corotate
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2017-03-16 10:00:12 +01:00 |
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bdb7669e27
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Fixed coding style.
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2017-03-16 09:44:07 +01:00 |
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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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3a2da51a82
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Merge pull request #413 from ohenrich/user-cgdna
User cgdna
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2017-03-15 13:12:43 -06:00 |
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b1c59126f7
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Merge pull request #415 from stanmoore1/kk_qeq
Add neigh/qeq option to Kokkos package
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2017-03-15 13:12:08 -06:00 |
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4c77838514
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Merge pull request #414 from sstrong99/flow-gauss-doc-addition
flow/gauss documentation update
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2017-03-15 13:11:26 -06:00 |
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f9468f46f5
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Merge pull request #412 from timattox/master_typofix
Correct a typo in the fix_halt.txt documentation.
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2017-03-15 13:10:58 -06:00 |
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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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fdc390ad05
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Tweaking docs for Kokkos package
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2017-03-14 14:08:14 -06:00 |
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580f6b567b
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Add neigh/qeq option to Kokkos
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2017-03-14 10:44:31 -06:00 |
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27b1c33a16
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updated the NEMD discussion in the how-to documentation about flow/gauss
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2017-03-14 10:39:06 -06:00 |
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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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4cfe623bc1
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Correct a typo in the fix_halt.txt documentation.
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2017-03-10 21:30:03 -05:00 |
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f871ecdc67
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change to RCB cuts in load-balancing commands, also a new option for fix halt
patch_10Mar2017
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2017-03-10 15:55:07 -07:00 |
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470353e320
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Merge pull request #408 from giacomofiorin/colvars-update-2017-03-10
Colvars update 2017-03-10
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2017-03-10 14:51:16 -07:00 |
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ffe02d20ca
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Merge pull request #406 from stanmoore1/kokkos_bugfix
Fix Kokkos issues
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2017-03-10 14:51:04 -07:00 |
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f70752c18f
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Include PDF of Colvars doc missing in previous commit
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2017-03-10 15:58:35 -05:00 |
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07fcfd6d54
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Merge pull request #405 from stanmoore1/ev_setup_kk
Add alloc flag to ev_setup
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2017-03-10 11:01:51 -07:00 |
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c97feafca6
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Merge pull request #407 from frobnitzem/master
Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp
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2017-03-10 11:00:30 -07:00 |
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b20d95d495
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Merge pull request #402 from timattox/USER-DPD_spelling
Fix spelling "correction" from 3a054d1a: iterations not interactions and imd_writen not imd_written
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2017-03-10 10:59:43 -07:00 |
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0b4adaa9e6
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Backport typo fixes that were not previously pushed to the Colvars repository
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2017-03-10 09:24:46 -05:00 |
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5fe6206638
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Update Colvars module to version 2017-03-10
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2017-03-10 09:16:58 -05:00 |
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65964f3b31
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Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp
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2017-03-09 16:49:07 -05:00 |
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b28b84d444
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Fix half from full nlist issue with Kokkos
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2017-03-09 14:00:27 -07:00 |
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a001a5ceb0
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Fixing memory overflow issue in comm_kokkos
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2017-03-09 12:20:49 -07:00 |
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2ef713ea1b
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restore incorrect change due to spell checking in fix imd
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2017-03-08 16:40:16 -05:00 |
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1f6c1942b3
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Disable allocation of per-atom arrays in ev_setup for Kokkos styles
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2017-03-08 12:42:44 -07:00 |
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683023d820
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Adding alloc flag to ev_setup
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2017-03-08 12:36:23 -07:00 |
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42d3a8f498
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Fix spelling "correction" from 3a054d1a: iterations not interactions. :-)
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2017-03-07 15:41:06 -05:00 |
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79b005dc3d
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patch 7Mar17
patch_7Mar2017
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2017-03-07 11:40:07 -07:00 |
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a2fa6ef452
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Merge pull request #393 from akohlmey/small-bugfixes
Small bugfixes
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2017-03-07 09:56:03 -07:00 |
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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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c2aabdec22
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Merge pull request #398 from stanmoore1/kokkos_changes
Kokkos changes
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2017-03-07 09:46:54 -07:00 |
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e4aa735a68
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Merge pull request #395 from timattox/USER-DPD_bugfix
USER-DPD: a variety of small but important bugfixes
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2017-03-07 09:46:40 -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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020e75e7ef
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Merge pull request #386 from akohlmey/doc-consistentcy
improve consistency of manual
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2017-03-07 09:33:14 -07:00 |
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d6866f1cfd
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Merge pull request #376 from v0i0/airebo-bondorderLJ-fixes
Fixes for PairAIREBO::bondorderLJ
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2017-03-07 09:32:30 -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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08baaa9d8e
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Fix more typos in tools
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2017-03-07 01:00:25 -05:00 |
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359af419a7
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Fix typo in python README
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2017-03-07 00:58:35 -05:00 |
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21be86c423
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Fix typos in txt2html
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2017-03-07 00:58:03 -05:00 |
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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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3a054d1a82
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Fix more typos in src files
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2017-03-07 00:55:01 -05:00 |
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007f3c66a0
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Third batch of spelling fixes in manual
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2017-03-07 00:51:31 -05:00 |
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32708860a9
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Add remaining false positives
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2017-03-07 00:27:35 -05:00 |
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