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fb4df86d3d
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Merge pull request #1170 from akohlmey/fix-merge-sort
Bug fix for merge sort by Jeffrey Frey
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2018-10-29 18:47:50 -04:00 |
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1bae30c295
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liblammps.pc: add some more documentation
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2018-10-29 06:57:46 -06:00 |
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044507640f
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include Plumed.h with full path
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2018-10-29 06:52:19 -06:00 |
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bcc7a4c32f
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cmake: add PLUMED include dir
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2018-10-29 06:36:47 -06:00 |
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283096d1d5
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update .gitignore
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2018-10-29 03:50:55 -04:00 |
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079134255d
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make sure class member "list" is initialized to NULL in constructor
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2018-10-29 03:49:25 -04:00 |
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25b425dbb0
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no need to import the PLMD namespace globally
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2018-10-28 22:21:35 -04:00 |
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bee2cb96fa
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remove references to Plumed.cpp and Plumed.h
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2018-10-28 22:18:27 -04:00 |
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360aca581c
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remove last reference to voro++
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2018-10-28 21:56:49 -04:00 |
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21661f84db
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Merge pull request #1181 from akohlmey/fixup-github-folder
Updates to contributing guidelines
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2018-10-28 21:55:02 -04:00 |
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a662afe970
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fully integrate USER-PLUMED package into conventional build
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2018-10-28 21:37:33 -04:00 |
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3a082e227e
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remove obsolete and redundant files
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2018-10-28 21:33:51 -04:00 |
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54d728c0c7
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reduce need for include files by adding forward declaration
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2018-10-28 21:33:06 -04:00 |
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ae499b980d
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make Plumed.cpp obsolete in USER-PLUMED code by inserting it into fix_plumed.cpp
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2018-10-28 21:32:47 -04:00 |
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925d6d37b9
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adjust header inclusion to current LAMMPS conventions
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2018-10-28 21:32:01 -04:00 |
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bdf3764905
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update user-plumed Install.sh file to fit better into LAMMPS, adjust to changes in lib folder
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2018-10-28 21:31:40 -04:00 |
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bfbf5695fd
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adjust path for includelink to find the Plumed.h wrapper properly
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2018-10-28 21:30:37 -04:00 |
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e788ffe210
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Merge branch 'master' of github.com:gtribello/lammps into fix-plumed
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2018-10-28 21:29:53 -04:00 |
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3cc9384488
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cmake: add support USER-PLUMED
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2018-10-28 16:23:29 -06:00 |
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a60b6d1ab8
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add feature to python lib install script to support existing installation and use links
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2018-10-28 18:12:32 -04:00 |
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174b180a41
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remove file that is not present
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2018-10-28 18:12:02 -04:00 |
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7bbd8644c8
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rework some of the pull request instructions to be realigned with the recent changes in the workflow.
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2018-10-28 08:50:37 -04:00 |
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f36b7e38a8
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correct link to github tutorial in CONTRIBUTING doc
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2018-10-28 08:42:28 -04:00 |
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f70af61b35
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Added new version of Plumed wrapper
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2018-10-28 09:27:22 +00:00 |
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a2671f8943
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doc files for new parallel dump file read capability
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2018-10-26 18:06:34 -06:00 |
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0a4007c55b
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add parallel file read capability to ReadDump
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2018-10-26 17:37:50 -06:00 |
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85c8877aeb
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make 2 copy of old read_dump and rerun for comparison to new
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2018-10-26 17:31:42 -06:00 |
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4fa78a78de
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Added instructions on PLUMED to build extras and Package details pages of manual
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2018-10-26 22:12:17 +01:00 |
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ff9f836be4
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Merge remote-tracking branch 'upstream/master'
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2018-10-26 22:01:05 +01:00 |
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2e79d9f340
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Merged Pablo's fixes into the plumed interface for lammps
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2018-10-25 21:45:35 +01:00 |
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2428c1c1f3
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Merge pull request #1177 from lammps/modify-reorder
reorder operations in init() to fix a bug with compute chunk/atom del…
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2018-10-25 10:55:14 -04:00 |
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0e213b80e9
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reorder operations in init() to fix a bug with compute chunk/atom deleting a fix
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2018-10-25 08:23:10 -06:00 |
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2c1f420a48
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more tweaks
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2018-10-24 13:43:26 -06:00 |
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07f92d225e
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formatting tweak
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2018-10-24 12:03:51 -06:00 |
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7e5ec96bcd
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more tweaks from style check script
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2018-10-24 12:02:36 -06:00 |
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c8870f1b78
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change intro to each list of commands
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2018-10-24 11:57:34 -06:00 |
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7069b52a44
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Merge pull request #1172 from akohlmey/next-patch-release
Patch release 24 October 2018
patch_24Oct2018
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2018-10-23 18:08:38 -04:00 |
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45f28517ef
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Merge pull request #1174 from akohlmey/fix-kspace-refactor
Bug fix for Kspace refactoring in USER-INTEL package
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2018-10-23 13:33:36 -04:00 |
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fccc26758b
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Merge pull request #1152 from lammps/doc-adjust2
More Documentation consistency improvements
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2018-10-23 13:05:04 -04:00 |
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b6b6270716
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fix bug reported in issue #1173
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2018-10-23 11:58:00 -04:00 |
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0293dee9b2
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patch 24Oct2018
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2018-10-23 11:03:51 -04:00 |
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6107f00e9d
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Merge pull request #1164 from akohlmey/fix-halt-for-minimize
Enable use of fix halt for minimizations
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2018-10-23 10:35:26 -04:00 |
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1d38f2d725
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Merge pull request #1165 from akohlmey/refactor-kspace-base-class
Refactor kspace base class to have a settings() method
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2018-10-23 10:35:12 -04:00 |
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4a5c14f60d
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Merge pull request #1148 from akohlmey/deprecated-styles
Implement dummy classes for deprecated and removed styles
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2018-10-23 10:34:58 -04:00 |
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aa27c8f733
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convert double quotes to latex style
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2018-10-23 09:17:00 -04:00 |
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da38ae0370
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apply fix for merge sort from issue #1163 by @jtfrey and re-enable it
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2018-10-23 08:57:33 -04:00 |
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527ec61586
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Merge pull request #1169 from akohlmey/kokkos-parallel-for-workaround
Workaround for parallel_for() compilation issue with newer GNU compilers
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2018-10-22 11:17:47 -04:00 |
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8649081904
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fix broken links in manual
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2018-10-21 18:39:25 -04:00 |
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c0dd187802
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make sure all pictures are includes in epub/mobi files
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2018-10-21 18:38:46 -04:00 |
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3661836a3b
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Merge pull request #1168 from athomps/compute-adf
Created new compute ADF for angular distribution function
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2018-10-20 20:57:38 -04:00 |
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