Commit Graph

3892 Commits

Author SHA1 Message Date
6482df6c2f remove references to deleted tools. update/clarify section on restart2data 2017-03-20 18:57:30 -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
52987a3615 Started writing pair_zhou.txt 2017-03-18 22:32:39 -04:00
4a90bca7a3 patch 17Mar17 2017-03-17 11:29:23 -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
1bb9c7da42 Remove some duplicate anchors in documentation 2017-03-16 22:36:13 -04:00
070ce33a13 improve memory usage reporting in info and output class 2017-03-16 18:35:04 -04:00
f604f86cfc add fix filter/corotate to some administrative files 2017-03-16 15:08:17 -04:00
0d8f74f0c5 Merge branch 'filter_corotate' of https://github.com/lukin17/lammps into pull-416 2017-03-15 18:54:41 -04:00
3a2da51a82 Merge pull request #413 from ohenrich/user-cgdna
User cgdna
2017-03-15 13:12:43 -06:00
b1c59126f7 Merge pull request #415 from stanmoore1/kk_qeq
Add neigh/qeq option to Kokkos package
2017-03-15 13:12:08 -06:00
4c77838514 Merge pull request #414 from sstrong99/flow-gauss-doc-addition
flow/gauss documentation update
2017-03-15 13:11:26 -06:00
c3ce3747e0 Added fix filter/corotate. 2017-03-15 11:34:01 +01:00
fdc390ad05 Tweaking docs for Kokkos package 2017-03-14 14:08:14 -06:00
580f6b567b Add neigh/qeq option to Kokkos 2017-03-14 10:44:31 -06:00
27b1c33a16 updated the NEMD discussion in the how-to documentation about flow/gauss 2017-03-14 10:39:06 -06:00
7a75cd111c Minor updates in documentation and setup tool, merge before upgrade to oxDNA2 2017-03-14 11:39:09 +00:00
23b8287933 Updated documentation and simple setup tool 2017-03-14 11:36:44 +00:00
d17d99b9dd UPLOAD Formulas for EES 2017-03-13 22:54:09 +09:00
68b2a454b5 UPLOAD fix_wall_ees_image 2017-03-13 22:53:10 +09:00
23c3f5622a DOC files for USER-EES
txt doc files for fix_wall_ees and fix_wall_region_ees added.
2017-03-13 22:51:15 +09:00
4cfe623bc1 Correct a typo in the fix_halt.txt documentation. 2017-03-10 21:30:03 -05:00
f871ecdc67 change to RCB cuts in load-balancing commands, also a new option for fix halt 2017-03-10 15:55:07 -07:00
f70752c18f Include PDF of Colvars doc missing in previous commit 2017-03-10 15:58:35 -05:00
0b4adaa9e6 Backport typo fixes that were not previously pushed to the Colvars repository 2017-03-10 09:24:46 -05:00
5fe6206638 Update Colvars module to version 2017-03-10 2017-03-10 09:16:58 -05:00
79b005dc3d patch 7Mar17 2017-03-07 11:40:07 -07:00
920641bbff Merge pull request #399 from rbberger/docs_spelling_fixes
Correct spelling errors in documentation
2017-03-07 09:47:22 -07:00
4af6557568 Merge pull request #394 from jaapkroe/kolmogorov-crespi
Added Kolmogorov-Crespi potential
2017-03-07 09:46:08 -07:00
020e75e7ef Merge pull request #386 from akohlmey/doc-consistentcy
improve consistency of manual
2017-03-07 09:33:14 -07:00
efaa4c6710 new neigh_modify exclude option, other SNAP changes 2017-03-07 09:31:12 -07:00
007f3c66a0 Third batch of spelling fixes in manual 2017-03-07 00:51:31 -05:00
084d831bce Second batch of spelling fixes in manual 2017-03-05 21:02:51 -05:00
fd78486086 First batch of spelling fixes in manual 2017-03-05 18:27:38 -05:00
8a0e44db83 updated documentation and ev_tally 2017-03-01 16:13:44 +01:00
3ac74a1d69 update lammps.book file for latest doc changes 2017-02-28 11:21:18 -05:00
3605208a45 add a few more missing details for integrating pair style kolmogorov/crespi/z 2017-02-28 11:16:27 -05:00
9b01949cac make the introduction of the command-by-category list less confusing 2017-02-28 11:05:40 -05:00
323570c920 added jpg for kolmogorov-crespi-z equations and fixed hybrid/overlay check in source 2017-02-28 15:39:01 +01:00
a1b40b902d Added Kolmogorov-Crespi potential 2017-02-28 14:59:13 +01:00
2708c86836 fix typos: moleclue -> molecule
this closes #386
2017-02-27 18:03:18 -05:00
458b6749e7 Corrected comment in 3' to 5' directionality check. 2017-02-22 20:03:41 +00:00
20a9ffe69d improve consistency and resolve dead links for USER-CGDNA related doc files 2017-02-21 21:27:34 -05:00
49e83b4348 patch 21Feb17 sync with GHub 2017-02-21 16:07:26 -07:00
b70c670aac Merge pull request #383 from stanmoore1/rshan_class2_kk
Kokkos version of class2 bond, angle, dihedral, and improper from Ray Shan
2017-02-21 15:52:10 -07:00
429264a12b Merge pull request #380 from hheenen/core_shell_documentation
updated documentation and examples for coreshell
2017-02-21 15:50:53 -07:00