Commit Graph

12114 Commits

Author SHA1 Message Date
02e65900e6 add example log file generated from 17Nov16 version of lammps, make minimize and run short in system.in 2017-03-23 11:03:00 -04:00
343c9eda82 change zhou to momb in src/USER-MISC/README 2017-03-23 10:24:13 -04:00
df8dbec676 rename pair_zhou to pair_momb in src and change class name from PairZhou to PairMomb 2017-03-23 10:22:49 -04:00
1075be7eca rename zhou to momb in examples 2017-03-23 10:18:15 -04:00
6d395ec511 change name zhou to momb in docs, fix grammar 2017-03-23 10:08:47 -04:00
bf560e78f3 edit description and add related commands and default 2017-03-22 16:56:40 -04:00
daae76c465 Add names Tonnam and Ya to README 2017-03-22 15:59:00 -04:00
1ea9a14121 Add Tonnam and Ya names 2017-03-22 15:55:34 -04:00
1db5834b99 Revert "Cleanup of a few more references to obsoleted and removed tools like xmovie"
This reverts commit 127597023d.
2017-03-22 15:12:49 -04:00
3070b043be Revert "correct inconsistent anchors"
This reverts commit a14d58259c.
2017-03-22 15:12:47 -04:00
ef3f323fc4 Revert "remove reference to removed section on VMD scripts"
This reverts commit 66eb9c2486.
2017-03-22 15:12:43 -04:00
dc1d93a491 some more whitespace cleanup 2017-03-22 15:08:09 -04:00
66eb9c2486 remove reference to removed section on VMD scripts 2017-03-22 15:01:11 -04:00
a14d58259c correct inconsistent anchors 2017-03-22 15:00:57 -04:00
127597023d Cleanup of a few more references to obsoleted and removed tools like xmovie 2017-03-22 14:57:37 -04:00
cb9059652d a few more small changes to integrate pair style zhou properly 2017-03-22 14:39:46 -04:00
43f27250b5 Merge branch 'add-pair-zhou' of https://github.com/tonnamb/lammps into pull-417 2017-03-22 14:05:16 -04:00
c5d561a312 pair_zhou docs: add equation, add link in section_commands and pairs 2017-03-22 12:00:32 -04:00
dcede304df 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 2017-03-21 08:56:37 -06:00
145e682ad3 Merge pull request #427 from akohlmey/small-updates-and-corrections
Various updates and corrections for upcoming stable release
2017-03-21 08:18:21 -06:00
6482df6c2f remove references to deleted tools. update/clarify section on restart2data 2017-03-20 18:57:30 -04:00
0c9cd11b4e have the relevant LAMMPS version embedded into top part of the html manual 2017-03-20 18:25:11 -04:00
82d952ae0e mention NumPy dependency instead of Numeric for python tools 2017-03-20 17:26:19 -04:00
47d6451d03 fix compilation for pymol_asphere tool 2017-03-20 17:18:24 -04:00
e110d6961a remove obsolete tools and files 2017-03-20 17:17:35 -04:00
a42b0b7dcb update colvars abf integrate tool from git repo 2017-03-20 17:04:16 -04:00
03828b5836 adapt binary2txt.cpp source to current coding conventions 2017-03-20 16:57:32 -04:00
3b44c3ff1d remove non-ASCII characters from doc source files 2017-03-20 16:55:14 -04:00
0d0c2b65f7 correct stan's email address 2017-03-20 16:32:16 -04:00
2218a9d704 emphasize that the online manual is following the latest development version 2017-03-20 16:32:04 -04:00
0a6b33cd78 remove duplicate paragraph in nose-hoover fix docs 2017-03-20 16:27:00 -04:00
ecf17621aa more permission fixes 2017-03-20 16:25:06 -04:00
f0c6ed004d remove xmovie 2017-03-20 16:24:38 -04:00
554531a302 update permissions 2017-03-20 13:51:36 -04:00
d496c0fdfa Merge pull request #426 from dstelter92/master
fix for temper_grem exchange probability
2017-03-20 08:57:29 -06:00
5c39dfd740 re-ran example with fixed exchanges 2017-03-20 09:22:09 -04:00
5b842f0010 Teff and exchange bugfix, as per Greg Dignon to match python examples 2017-03-20 09:15:48 -04:00
52987a3615 Started writing pair_zhou.txt 2017-03-18 22:32:39 -04:00
b6ecfb91c4 deleted pair_zhou in main/src (moved to USER-MISC) 2017-03-18 21:22:02 -04:00
d04ea8653d add examples for pair_zhou 2017-03-18 21:21:25 -04:00
2ab77caa8b adapt to LAMMPS coding style 2017-03-18 21:01:40 -04:00
da81531906 move pair_zhou to USER-MISC and update USER-MISC/README 2017-03-18 20:54:12 -04:00
5be32f5d8d remove pair_zhou from Makefile.list 2017-03-18 20:48:49 -04:00
4a90bca7a3 patch 17Mar17 patch_17Mar2017 2017-03-17 11:29:23 -06:00
9f35b764f8 Merge pull request #424 from timattox/dpd_restart_fix
Remove unneeded restart_peratom flags in USER-DPD package
2017-03-17 11:19:04 -06:00
7ca5dce2f5 Merge pull request #423 from timattox/master_bugfix_irregular
bugfix for irregular::create_atom and create_data
2017-03-17 11:18:52 -06:00
fcc3b3bd36 Merge pull request #421 from akohlmey/memory-output
improve memory usage reporting in info and output class
2017-03-17 11:18:08 -06:00
53a3877c3d Merge pull request #420 from rbberger/doc_anchor_check
Add utility to detect duplicate anchors in docs
2017-03-17 11:17:28 -06:00
a936b7b2ab Merge pull request #419 from rbberger/python_fixes
Library interface fixes, Python example fixes and better Python 3 compatibility
2017-03-17 11:16:58 -06:00
a91b851f3d Merge pull request #416 from lukin17/filter_corotate
Added fix filter/corotate.
2017-03-17 11:14:59 -06:00