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3dfe4505dd
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24Mar17 patch sync with SVN
patch_24Mar2017
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2017-03-24 15:17:51 -06:00 |
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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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e6fcaefe95
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Merge pull request #431 from v0i0/fix-airebo-morse
Fix airebo/morse
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2017-03-24 10:03:29 -06:00 |
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f5a85d68ad
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Merge pull request #429 from akohlmey/updates-for-stable
Collected updates for stable release
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2017-03-24 10:01:23 -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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8820315ff9
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Merge branch 'master' into updates-for-stable
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2017-03-23 17:57:02 -04:00 |
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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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2cdcd6d630
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remove one more reference to xmovie
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2017-03-23 16:03:25 -04:00 |
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47cade2bcf
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re-arranged functions to make it easier to compare with non-threaded. port bugfixes to airebo to USER-OMP
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2017-03-23 15:19:02 -04:00 |
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a72efbea36
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whitespace cleanup
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2017-03-23 15:18:23 -04:00 |
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5c9892c083
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apply airebo/m bugfix also to USER-OMP version
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2017-03-23 14:14:49 -04:00 |
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9ecc5c8cf7
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Merge branch 'fix-airebo-morse' of https://github.com/v0i0/lammps into pull-431
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2017-03-23 14:12:37 -04:00 |
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47cebb0d23
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And getting it right...
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2017-03-23 17:43:27 +01:00 |
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f127e428cc
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Fix airebo/morse
Introduced in b3d2fb91, PCCf_2_0 does not get initialized in ::settings
in PairAIREBOMorse. Future proof by calling super-class.
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2017-03-23 17:37:49 +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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b88a749680
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rename a couple more references to pair style zhou into momb
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2017-03-23 11:38:33 -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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343c9eda82
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change zhou to momb in src/USER-MISC/README
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2017-03-23 10:24:13 -04:00 |
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df8dbec676
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rename pair_zhou to pair_momb in src and change class name from PairZhou to PairMomb
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2017-03-23 10:22:49 -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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6d395ec511
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change name zhou to momb in docs, fix grammar
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2017-03-23 10:08:47 -04:00 |
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bf560e78f3
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edit description and add related commands and default
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2017-03-22 16:56:40 -04:00 |
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daae76c465
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Add names Tonnam and Ya to README
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2017-03-22 15:59:00 -04:00 |
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1ea9a14121
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Add Tonnam and Ya names
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2017-03-22 15:55:34 -04:00 |
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1db5834b99
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Revert "Cleanup of a few more references to obsoleted and removed tools like xmovie"
This reverts commit 127597023d.
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2017-03-22 15:12:49 -04:00 |
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3070b043be
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Revert "correct inconsistent anchors"
This reverts commit a14d58259c.
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2017-03-22 15:12:47 -04:00 |
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ef3f323fc4
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Revert "remove reference to removed section on VMD scripts"
This reverts commit 66eb9c2486.
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2017-03-22 15:12:43 -04:00 |
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43a304f564
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remove reference to removed section on VMD scripts
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2017-03-22 15:12:09 -04:00 |
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a79aef65e8
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correct inconsistent anchors
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2017-03-22 15:12:09 -04:00 |
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dc1d93a491
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some more whitespace cleanup
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2017-03-22 15:08:09 -04:00 |
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66eb9c2486
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remove reference to removed section on VMD scripts
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2017-03-22 15:01:11 -04:00 |
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a14d58259c
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correct inconsistent anchors
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2017-03-22 15:00:57 -04:00 |
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127597023d
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Cleanup of a few more references to obsoleted and removed tools like xmovie
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2017-03-22 14:57:37 -04:00 |
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3ec16f3630
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fully integrate support for doc_anchor_check into docs makefile
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2017-03-22 14:40:30 -04:00 |
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cb9059652d
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a few more small changes to integrate pair style zhou properly
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2017-03-22 14:39:46 -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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c5d561a312
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pair_zhou docs: add equation, add link in section_commands and pairs
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2017-03-22 12:00:32 -04:00 |
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734e639c5d
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correct typo reported on lammps-users
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2017-03-21 14:12:00 -04:00 |
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dcede304df
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changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution
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2017-03-21 08:56:37 -06:00 |
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145e682ad3
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Merge pull request #427 from akohlmey/small-updates-and-corrections
Various updates and corrections for upcoming stable release
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2017-03-21 08:18:21 -06:00 |
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6482df6c2f
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remove references to deleted tools. update/clarify section on restart2data
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2017-03-20 18:57:30 -04:00 |
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0c9cd11b4e
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have the relevant LAMMPS version embedded into top part of the html manual
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2017-03-20 18:25:11 -04:00 |
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82d952ae0e
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mention NumPy dependency instead of Numeric for python tools
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2017-03-20 17:26:19 -04:00 |
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47d6451d03
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fix compilation for pymol_asphere tool
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2017-03-20 17:18:24 -04:00 |
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e110d6961a
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remove obsolete tools and files
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2017-03-20 17:17:35 -04:00 |
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a42b0b7dcb
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update colvars abf integrate tool from git repo
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2017-03-20 17:04:16 -04:00 |
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03828b5836
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adapt binary2txt.cpp source to current coding conventions
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2017-03-20 16:57:32 -04:00 |
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3b44c3ff1d
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remove non-ASCII characters from doc source files
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2017-03-20 16:55:14 -04:00 |
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0d0c2b65f7
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correct stan's email address
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2017-03-20 16:32:16 -04:00 |
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