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1cd4c48ccc
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new SNAP potential for W
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2017-02-21 15:49:21 -07:00 |
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ccaec315db
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Updating docs for Kokkos class2
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2017-02-15 13:00:33 -07:00 |
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0fb8dacc00
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one more Finchham to Fincham change
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2017-02-14 07:41:05 -05:00 |
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6b923476b9
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updated documentation and examples for coreshell
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2017-02-14 13:14:22 +01:00 |
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cb982f2f28
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sync 13Feb17 patch back to GH
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2017-02-13 09:05:03 -07:00 |
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4843296d4e
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Merge pull request #372 from akohlmey/fft-cleanup
simplify FFT3d code by removing support for outdated FFT libraries
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2017-02-13 08:53:13 -07:00 |
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2bdda8f6c0
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patch 12Feb17 - change int to tagint for compute group/group
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2017-02-13 08:40:54 -07:00 |
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0068ef5616
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added molecule option to compute group/group command
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2017-02-10 09:25:32 -07:00 |
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0efd209480
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Merge branch 'master' into user-cgdna
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2017-02-09 11:50:03 +00:00 |
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8c074a363a
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Merge branch 'master' into small-updates-and-fixes
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2017-02-08 14:32:44 -05:00 |
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191453e1c7
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Merge branch 'master' into fft-cleanup
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2017-02-03 16:53:10 -05:00 |
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6595fde0a1
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explain in more detail the handling of error checking for numerical inputs
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2017-02-02 11:58:12 -05:00 |
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9d1991bf84
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remove support for obsolete legacy FFT libraries and point -DFFT_FFTW to FFTW3
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2017-02-02 08:10:23 -05:00 |
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0a87b7443a
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Updated contributing authors and docs
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2017-02-02 13:42:47 +01:00 |
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ed0a347fbf
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Merge branch 'master' into user-cgdna
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2017-01-30 10:31:50 +00:00 |
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f8506fee23
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sync GHub with SVN
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2017-01-26 14:06:43 -07:00 |
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149f37e764
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Corrected reference to Fig.1
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2017-01-26 19:08:59 +00:00 |
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caea8973a3
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add neighbor list kind output to screen
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2017-01-20 13:24:09 -07:00 |
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9a299875da
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simplified neighbor list copying to avoid possible same-timestep re-build issues
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2017-01-19 17:01:15 -07:00 |
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3af4b3c28c
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Merge pull request #337 from ohenrich/user-cgdna
Added source code and documentation for USER-CGDNA
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2017-01-18 11:31:35 -07:00 |
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d2fc88a626
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patch 17Jan17
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2017-01-17 10:14:53 -07:00 |
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c19d2011bb
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Merge pull request #334 from sstrong99/flow_gauss_changeRef
Updated the reference for the flow/gauss method
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2017-01-17 09:12:22 -07:00 |
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973bef4d45
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Merge pull request #332 from akohlmey/coord-atom-orientorder-atom-enhancements
Coord atom orientorder atom enhancements
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2017-01-17 09:11:45 -07:00 |
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252e07e083
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Merge pull request #330 from akohlmey/collected-small-bugfixes
Collected small bugfixes
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2017-01-17 09:08:00 -07:00 |
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d8bc590aaf
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Merge pull request #327 from stanmoore1/kokkos_lib_update
Updating Kokkos lib
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2017-01-17 09:04:12 -07:00 |
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c9bea60710
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Merge pull request #326 from Pakketeretet2/github-tutorial-update
Updated images of succesful merge.
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2017-01-17 09:03:46 -07:00 |
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5cd856c97f
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fix spring doc page update
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2017-01-17 09:02:56 -07:00 |
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98ceb6feb1
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add missing html files to lammps.book
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2017-01-13 18:11:23 -05:00 |
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374abea0f0
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some minor documentation integration tweaks for USER-CGDNA package
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2017-01-13 18:09:45 -05:00 |
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96259ea2d2
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Added source code and documentation for USER-CGDNA
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2017-01-13 13:36:54 +00:00 |
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1229f6f60b
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Updated the reference for the flow/gauss method, the new reference is much more comprehensive
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2017-01-12 10:15:18 -07:00 |
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6950a99162
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Revert "remove obsolete warning about fix rigid image flag restrictions"
This reverts commit 51e52b477a.
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2017-01-11 19:49:58 -05:00 |
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1d0e600ab7
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formatting improvements and small corrections for timer settings and output discussions
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2017-01-10 23:47:14 -05:00 |
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95706ac846
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import contributed code for computes coord/atom and orientorder/atom
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2017-01-10 12:29:22 -05:00 |
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0db2a07993
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another workaround for duplicate labels (which sphinx does not like)
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2017-01-09 17:51:19 -05:00 |
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33412c76ed
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correct some formatting issues with USER-NC-DUMP
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2017-01-09 17:50:49 -05:00 |
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e5ac49d1de
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Merge branch 'master' into collected-small-bugfixes
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2017-01-09 17:13:46 -05:00 |
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c31f1e9f22
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add fix mscg command, example, lib
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2017-01-09 13:36:40 -07:00 |
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ebd25cc078
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Updating docs for Kokkos package
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2017-01-09 12:40:33 -07:00 |
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20f8a8c219
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Merge branch 'master' into github-tutorial-update
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2017-01-09 14:38:09 +01:00 |
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51e52b477a
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remove obsolete warning about fix rigid image flag restrictions
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2017-01-06 21:30:33 -05:00 |
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20a4e365b7
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reduce warning when processing manual with sphinx
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2017-01-06 21:30:13 -05:00 |
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51fa33a407
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patch 6Jan17
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2017-01-06 11:14:48 -07:00 |
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ccd09e3967
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Updated images of succesful merge.
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2017-01-06 19:04:26 +01:00 |
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142770cb2a
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enable pppm/tip4p to work with triclinic
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2017-01-06 10:38:32 -07:00 |
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3ac58452de
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Merge pull request #310 from EfremBraun/master
Fix nvk implemented
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2017-01-06 10:02:22 -07:00 |
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9b348d567b
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Merge pull request #315 from Pakketeretet2/github-tutorial-update
GitHub tutorial update
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2017-01-06 10:01:57 -07:00 |
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41a6a3076e
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Merge pull request #309 from giacomofiorin/colvars-2016-12-22
Update Colvars library to version 2016-12-22
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2017-01-06 09:58:20 -07:00 |
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6af56e686d
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polish the introduction, some more clarifications, corrections and formatting improvements
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2017-01-06 08:31:02 -05:00 |
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eb1c6a225c
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typo fixed
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2017-01-06 11:54:30 +01:00 |
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