Diffusion lammps (master) History

lammps/doc
master17c17ac4099687e0766cefb…

Mar 20 2017

correct stan's email address
0d0c2b65f763
·Axel Kohlmeyer on Mar 20 2017, 21:32.
emphasize that the online manual is following the latest development version
2218a9d704dc
·Axel Kohlmeyer on Mar 20 2017, 21:32.
remove duplicate paragraph in nose-hoover fix docs
0a6b33cd78a6
·Axel Kohlmeyer on Mar 20 2017, 21:27.

Mar 19 2017

Started writing pair_zhou.txt
52987a36158b
·Tonnam Balankura on Mar 19 2017, 03:32.

Mar 17 2017

patch 17Mar17
4a90bca7a3b4
·Steve Plimpton on Mar 17 2017, 18:29.
Merge pull request #421 from akohlmey/memory-output
fcc3b3bd365d
·sjplimp / GitHub on Mar 17 2017, 18:18.
Merge pull request #420 from rbberger/doc_anchor_check
53a3877c3d3e
·sjplimp / GitHub on Mar 17 2017, 18:17.
Correct off-by-one error in line number reported
621d7d5ce0f2
·Richard Berger on Mar 17 2017, 04:05.
Remove some duplicate anchors in documentation
1bb9c7da42e5
·Richard Berger on Mar 17 2017, 03:36.
Add anchor_check to doc Makefile
f893104b18d1
·Richard Berger on Mar 17 2017, 03:21.
Add utility to detect duplicate anchors in documentation files
efb2a942e046
·Richard Berger on Mar 17 2017, 03:21.

Mar 16 2017

improve memory usage reporting in info and output class
070ce33a13df
·Axel Kohlmeyer on Mar 16 2017, 23:35.
add fix filter/corotate to some administrative files
f604f86cfcd4
·Axel Kohlmeyer on Mar 16 2017, 20:08.

Mar 15 2017

Merge branch 'filter_corotate' of https://github.com/lukin17/lammps into pull…
0d8f74f0c52e
·Axel Kohlmeyer on Mar 15 2017, 23:54.
Merge pull request #413 from ohenrich/user-cgdna
3a2da51a8210
·sjplimp / GitHub on Mar 15 2017, 20:12.
Merge pull request #415 from stanmoore1/kk_qeq
b1c59126f750
·sjplimp / GitHub on Mar 15 2017, 20:12.
Merge pull request #414 from sstrong99/flow-gauss-doc-addition
4c77838514d1
·sjplimp / GitHub on Mar 15 2017, 20:11.
Added fix filter/corotate.
c3ce3747e049
·lukin17 on Mar 15 2017, 11:34.

Mar 14 2017

Tweaking docs for Kokkos package
fdc390ad0548
·Stan Moore on Mar 14 2017, 21:08.
Add neigh/qeq option to Kokkos
580f6b567b12
·Stan Moore on Mar 14 2017, 17:44.
updated the NEMD discussion in the how-to documentation about flow/gauss
27b1c33a1680
·Steven Strong on Mar 14 2017, 17:39.
Minor updates in documentation and setup tool, merge before upgrade to oxDNA2
7a75cd111c3d
·Oliver Henrich on Mar 14 2017, 12:39.
Updated documentation and simple setup tool
23b828793333
·Oliver Henrich on Mar 14 2017, 12:36.

Mar 13 2017

UPLOAD Formulas for EES
d17d99b9dd22
·Abdoreza Ershadinia / GitHub on Mar 13 2017, 14:54.
UPLOAD fix_wall_ees_image
68b2a454b5c1
·Abdoreza Ershadinia / GitHub on Mar 13 2017, 14:53.
DOC files for USER-EES
23c3f5622af6
·Abdoreza Ershadinia / GitHub on Mar 13 2017, 14:51.

Mar 11 2017

Correct a typo in the fix_halt.txt documentation.
4cfe623bc17d
·Tim Mattox on Mar 11 2017, 03:30.

Mar 10 2017

change to RCB cuts in load-balancing commands, also a new option for fix halt
f871ecdc67db
·Steve Plimpton on Mar 10 2017, 23:55.
Include PDF of Colvars doc missing in previous commit
f70752c18f8d
·Giacomo Fiorin on Mar 10 2017, 21:58.
Backport typo fixes that were not previously pushed to the Colvars repository
0b4adaa9e6a1
·Giacomo Fiorin on Mar 10 2017, 15:24.
Update Colvars module to version 2017-03-10
5fe620663813
·Giacomo Fiorin on Mar 10 2017, 15:16.

Mar 7 2017

patch 7Mar17
79b005dc3d5f
·Steve Plimpton on Mar 7 2017, 19:40.
Merge pull request #399 from rbberger/docs_spelling_fixes
920641bbffbc
·sjplimp / GitHub on Mar 7 2017, 17:47.
Merge pull request #394 from jaapkroe/kolmogorov-crespi
4af6557568e7
·sjplimp / GitHub on Mar 7 2017, 17:46.
Merge pull request #386 from akohlmey/doc-consistentcy
020e75e7efff
·sjplimp / GitHub on Mar 7 2017, 17:33.
new neigh_modify exclude option, other SNAP changes
efaa4c67109f
·Steve Plimpton on Mar 7 2017, 17:31.
Fix typos in txt2html
21be86c42393
·Richard Berger on Mar 7 2017, 06:58.
Third batch of spelling fixes in manual
007f3c66a033
·Richard Berger on Mar 7 2017, 06:51.
Add remaining false positives
32708860a9fa
·Richard Berger on Mar 7 2017, 06:27.

Mar 6 2017

Added spellcheck utility to documentation build
fc9eebb9367c
·Richard Berger on Mar 6 2017, 03:23.
Second batch of spelling fixes in manual
084d831bce01
·Richard Berger on Mar 6 2017, 03:02.
First batch of spelling fixes in manual
fd78486086d9
·Richard Berger on Mar 6 2017, 00:27.

Mar 1 2017

updated documentation and ev_tally
8a0e44db83de
·Jaap Kroes on Mar 1 2017, 16:13.

Feb 28 2017

update lammps.book file for latest doc changes
3ac74a1d6995
·Axel Kohlmeyer on Feb 28 2017, 17:21.
add a few more missing details for integrating pair style kolmogorov/crespi/z
3605208a45bb
·Axel Kohlmeyer on Feb 28 2017, 17:16.
make the introduction of the command-by-category list less confusing
9b01949cacfc
·Axel Kohlmeyer on Feb 28 2017, 17:05.
added jpg for kolmogorov-crespi-z equations and fixed hybrid/overlay check in…
323570c92036
·Jaap Kroes on Feb 28 2017, 15:39.
Added Kolmogorov-Crespi potential
a1b40b902d3e
·Jaap Kroes on Feb 28 2017, 14:59.
fix typos: moleclue -> molecule
2708c8683626
·Axel Kohlmeyer on Feb 28 2017, 00:03.

Feb 22 2017

Corrected comment in 3' to 5' directionality check.
458b6749e7b6
·Oliver Henrich on Feb 22 2017, 21:03.
improve consistency and resolve dead links for USER-CGDNA related doc files
20a9ffe69dfd
·Axel Kohlmeyer on Feb 22 2017, 03:27.
patch 21Feb17 sync with GHub
49e83b434800
·Steve Plimpton on Feb 22 2017, 00:07.

Feb 21 2017

Merge pull request #383 from stanmoore1/rshan_class2_kk
b70c670aac56
·sjplimp / GitHub on Feb 21 2017, 23:52.
Merge pull request #380 from hheenen/core_shell_documentation
429264a12bac
·sjplimp / GitHub on Feb 21 2017, 23:50.
new SNAP potential for W
1cd4c48cccdb
·Steve Plimpton on Feb 21 2017, 23:49.

Feb 15 2017

Updating docs for Kokkos class2
ccaec315db31
·Stan Moore on Feb 15 2017, 21:00.

Feb 14 2017

one more Finchham to Fincham change
0fb8dacc00f8
·Axel Kohlmeyer / GitHub on Feb 14 2017, 13:41.
updated documentation and examples for coreshell
6b923476b96c
·Hendrik Heenen on Feb 14 2017, 13:14.

Feb 13 2017

sync 13Feb17 patch back to GH
cb982f2f28ab
·Steve Plimpton on Feb 13 2017, 17:05.
Merge pull request #372 from akohlmey/fft-cleanup
4843296d4e57
·sjplimp / GitHub on Feb 13 2017, 16:53.
patch 12Feb17 - change int to tagint for compute group/group
2bdda8f6c013
·Steve Plimpton on Feb 13 2017, 16:40.

Feb 10 2017

added molecule option to compute group/group command
0068ef56168f
·Steve Plimpton on Feb 10 2017, 17:25.

Feb 9 2017

Merge branch 'master' into user-cgdna
0efd20948050
·Oliver Henrich on Feb 9 2017, 12:50.

Feb 8 2017

Merge branch 'master' into small-updates-and-fixes
8c074a363ae8
·Axel Kohlmeyer on Feb 8 2017, 20:32.

Feb 3 2017

Merge branch 'master' into fft-cleanup
191453e1c73d
·Axel Kohlmeyer on Feb 3 2017, 22:53.

Feb 2 2017

explain in more detail the handling of error checking for numerical inputs
6595fde0a18b
·Axel Kohlmeyer on Feb 2 2017, 17:58.
remove support for obsolete legacy FFT libraries and point -DFFT_FFTW to FFTW3
9d1991bf840c
·Axel Kohlmeyer on Feb 2 2017, 14:10.
Updated contributing authors and docs
0a87b7443a75
·Stefan Paquay on Feb 2 2017, 13:42.

Jan 30 2017

Merge branch 'master' into user-cgdna
ed0a347fbf61
·Oliver Henrich on Jan 30 2017, 11:31.

Jan 26 2017

sync GHub with SVN
f8506fee23e1
·Steve Plimpton on Jan 26 2017, 22:06.
Corrected reference to Fig.1
149f37e764dc
·Oliver Henrich on Jan 26 2017, 20:08.

Jan 20 2017

add neighbor list kind output to screen
caea8973a3ba
·Steve Plimpton on Jan 20 2017, 21:24.
simplified neighbor list copying to avoid possible same-timestep re-build issues
9a299875dade
·Steve Plimpton on Jan 20 2017, 01:01.

Jan 18 2017

Merge pull request #337 from ohenrich/user-cgdna
3af4b3c28c8b
·sjplimp / GitHub on Jan 18 2017, 19:31.

Jan 17 2017

patch 17Jan17
d2fc88a626e3
·Steve Plimpton on Jan 17 2017, 18:14.
Merge pull request #334 from sstrong99/flow_gauss_changeRef
c19d2011bb0f
·sjplimp / GitHub on Jan 17 2017, 17:12.
Merge pull request #332 from akohlmey/coord-atom-orientorder-atom-enhancements
973bef4d4527
·sjplimp / GitHub on Jan 17 2017, 17:11.
Merge pull request #330 from akohlmey/collected-small-bugfixes
252e07e0838f
·sjplimp / GitHub on Jan 17 2017, 17:08.
Merge pull request #327 from stanmoore1/kokkos_lib_update
d8bc590aaf1f
·sjplimp / GitHub on Jan 17 2017, 17:04.
Merge pull request #326 from Pakketeretet2/github-tutorial-update
c9bea60710e6
·sjplimp / GitHub on Jan 17 2017, 17:03.
fix spring doc page update
5cd856c97f97
·Steve Plimpton on Jan 17 2017, 17:02.

Jan 14 2017

add missing html files to lammps.book
98ceb6feb1bf
·Axel Kohlmeyer on Jan 14 2017, 00:11.
some minor documentation integration tweaks for USER-CGDNA package
374abea0f03f
·Axel Kohlmeyer on Jan 14 2017, 00:09.

Jan 13 2017

Added source code and documentation for USER-CGDNA
96259ea2d2bd
·Oliver Henrich on Jan 13 2017, 14:36.

Jan 12 2017

Updated the reference for the flow/gauss method, the new reference is much more…
1229f6f60b50
·Steven Strong on Jan 12 2017, 18:15.
Revert "remove obsolete warning about fix rigid image flag restrictions"
6950a991624e
·Axel Kohlmeyer on Jan 12 2017, 01:49.

Jan 11 2017

formatting improvements and small corrections for timer settings and output…
1d0e600ab74b
·Axel Kohlmeyer on Jan 11 2017, 05:47.

Jan 10 2017

import contributed code for computes coord/atom and orientorder/atom
95706ac846fb
·Axel Kohlmeyer on Jan 10 2017, 18:29.

Jan 9 2017

another workaround for duplicate labels (which sphinx does not like)
0db2a07993b4
·Axel Kohlmeyer on Jan 9 2017, 23:51.
correct some formatting issues with USER-NC-DUMP
33412c76edd7
·Axel Kohlmeyer on Jan 9 2017, 23:50.
Merge branch 'master' into collected-small-bugfixes
e5ac49d1de4b
·Axel Kohlmeyer on Jan 9 2017, 23:13.
add fix mscg command, example, lib
c31f1e9f2252
·Steve Plimpton on Jan 9 2017, 21:36.
Updating docs for Kokkos package
ebd25cc07814
·Stan Moore on Jan 9 2017, 20:40.
Merge branch 'master' into github-tutorial-update
20f8a8c219a7
·Stefan Paquay on Jan 9 2017, 14:38.

Jan 7 2017

remove obsolete warning about fix rigid image flag restrictions
51e52b477a51
·Axel Kohlmeyer on Jan 7 2017, 03:30.
reduce warning when processing manual with sphinx
20a4e365b700
·Axel Kohlmeyer on Jan 7 2017, 03:30.

Jan 6 2017

patch 6Jan17
51fa33a407c7
·Steve Plimpton on Jan 6 2017, 19:14.
Updated images of succesful merge.
ccd09e39676e
·Stefan Paquay on Jan 6 2017, 19:04.
enable pppm/tip4p to work with triclinic
142770cb2a69
·Steve Plimpton on Jan 6 2017, 18:38.
Merge pull request #310 from EfremBraun/master
3ac58452de6a
·sjplimp / GitHub on Jan 6 2017, 18:02.

lammps/docmaster17c17ac4099687e0766cefb…

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lammps/doc
master17c17ac4099687e0766cefb…