Diffusion lammps (master) History

lammps/doc
master2c8a7a318a4a1a0786c0eba…

Oct 14 2016

bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with…
2c8a7a318a4a
·Steve Plimpton on Oct 14 2016, 00:55.

Oct 12 2016

patch to add DPD-VV
63e71cd45b27
·Steve Plimpton on Oct 12 2016, 15:35.
correct broken link
39a22039e918
·Axel Kohlmeyer on Oct 12 2016, 05:57.
updates for recent changes to the manual
b75860048bd7
·Axel Kohlmeyer on Oct 12 2016, 05:50.

Oct 11 2016

tweaks to new USER-DPD docs
0eb7fbf34d23
·Steve Plimpton on Oct 11 2016, 23:43.
Merge pull request #207 from timattox/USER-DPD_new_VV_for_DPD
6f1162927a78
·sjplimp / GitHub on Oct 11 2016, 21:39.
added LAST option to dump_modify thresh, more restart info printed out to screen
04f5eadcf14a
·Steve Plimpton on Oct 11 2016, 20:39.

Oct 10 2016

Merge pull request #203 from rbberger/txt2rst-external-link-fix
e70d530c46ed
·sjplimp / GitHub on Oct 10 2016, 21:59.
whitespace cleanup
144e6a809157
·Axel Kohlmeyer on Oct 10 2016, 15:40.
edited documentation
72ac0734123f
·Steven Strong / Axel Kohlmeyer on Oct 10 2016, 15:38.
edited documentation
49c45ab03b6f
·Steven Strong / Axel Kohlmeyer on Oct 10 2016, 15:38.
first draft of documentation for respa
c2cd43994412
·Steven Strong / Axel Kohlmeyer on Oct 10 2016, 15:38.

Oct 7 2016

USER-DPD: Added support to use VV integrator with USER-DPD if desired. Includes…
e27ed6c94a2e
·Tim Mattox on Oct 7 2016, 21:03.
Fix broken link
7f3a7c5cbe5e
·Richard Berger on Oct 7 2016, 02:33.
Fix issue with external links containing anchors
e78b4267b7c2
·Richard Berger on Oct 7 2016, 02:29.

Oct 6 2016

Merge pull request #202 from akohlmey/doc-formatting-fixes
e9fed8092893
·sjplimp / GitHub on Oct 6 2016, 23:49.
new fix wall/gran/region command, REBO bug fix, new example log files
b3d2fb91bb6c
·Steve Plimpton on Oct 6 2016, 23:47.
collected documentation updates and corrections from LAMMPS-ICMS
0b5d71537a8b
·Axel Kohlmeyer on Oct 6 2016, 21:48.
clean up doc src
493873fb933d
·Steve Plimpton on Oct 6 2016, 21:00.

Oct 5 2016

changes to imbalance weight factors
c46be7db625e
·Steve Plimpton on Oct 5 2016, 18:33.

Oct 4 2016

Merge branch 'restrict-weights-and-weight-factors' of https://github.
11c2892e54cf
·Steve Plimpton on Oct 4 2016, 17:49.
Merge pull request #190 from akohlmey/small-bufixes-and-enhancements
e07936277635
·sjplimp / GitHub on Oct 4 2016, 01:58.
added XOR operator to variable command
c3ff8812b34d
·Steve Plimpton on Oct 4 2016, 01:57.

Oct 2 2016

correct designation of meam supporting USER-OMP and meam/spline not
1985db4fb152
·Axel Kohlmeyer on Oct 2 2016, 05:05.

Sep 30 2016

restrict choice of weight factors and guarantee that weights are >= 0.001
d45e333f7c47
·Axel Kohlmeyer on Sep 30 2016, 17:11.
update colvars library to version 2016-09-30
6d200061ca64
·Axel Kohlmeyer on Sep 30 2016, 14:15.

Sep 29 2016

patch for allowing prd command to work with sorted atoms
446e7e736936
·Steve Plimpton on Sep 29 2016, 00:33.

Sep 27 2016

Merge pull request #44 from rbberger/doc-fixes
829d11e88b9b
·sjplimp / GitHub on Sep 27 2016, 23:36.
Merge pull request #43 from akohlmey/doc-fixes
96f31d6dade5
·sjplimp / GitHub on Sep 27 2016, 23:35.
enable multi-processor NEB replicas
35705217f4bb
·Steve Plimpton on Sep 27 2016, 23:34.
sync with SVN
9a2f7386731e
·Steve Plimpton on Sep 27 2016, 23:32.
released version of weighted balancing
f9677e6d7b71
·Steve Plimpton on Sep 27 2016, 18:52.
Add filter which merges preformatted sections
a3277117e250
·Richard Berger on Sep 27 2016, 00:52.
Do not escape underscore inside preformat blocks
67d4c07689a3
·Richard Berger on Sep 27 2016, 00:52.
Fix typo in Section_howto.txt
877a5049332e
·Richard Berger on Sep 27 2016, 00:44.
fix typo
8a951f9d7983
·Axel Kohlmeyer on Sep 27 2016, 00:43.
update load balance weights documentation for fix balance and balance
69a8842ecb81
·Axel Kohlmeyer on Sep 27 2016, 00:33.
correct issues related to the addition of fix cmap
7732548b3c0f
·Axel Kohlmeyer on Sep 27 2016, 00:14.
fix a broken link that slipped through the cracks in the previous cleanup
2c5f6e1a993b
·Axel Kohlmeyer on Sep 27 2016, 00:13.

Sep 26 2016

Fix broken link in Section_packages.txt
d0aa13b5431c
·Richard Berger on Sep 26 2016, 22:53.
Merge branch 'integration' into balance2
47b52ed2ddf4
·Axel Kohlmeyer on Sep 26 2016, 21:19.
new fix cmap command
b97b9dd66188
·Steve Plimpton on Sep 26 2016, 16:40.

Sep 23 2016

Merge pull request #41 from akohlmey/doc-fixes
c00cd6192d9c
·sjplimp / GitHub on Sep 23 2016, 22:57.
sync with SVN
6f4b7268ded6
·Steve Plimpton on Sep 23 2016, 22:52.
new verion of balance weighting
08f0bf90253e
·Steve Plimpton on Sep 23 2016, 22:37.
a few more consolidations of link anchors
3d5f5bf40e58
·Axel Kohlmeyer on Sep 23 2016, 16:25.
update kokkos compilation instructions to use provided preset makefiles
065d35eefa45
·Axel Kohlmeyer on Sep 23 2016, 05:53.
use "make mpi" instead of "make g++" in examples
378524903330
·Axel Kohlmeyer on Sep 23 2016, 05:52.
delete bogus line (how did this get into the docs?)
e18941e865b8
·Axel Kohlmeyer on Sep 23 2016, 05:41.
making more links and anchors consistent and correct errors
c6cebe66c75d
·Axel Kohlmeyer on Sep 23 2016, 04:26.
add an additional explanation to compute XXX/tally docs and fix a typo
08d9792ec854
·Axel Kohlmeyer on Sep 23 2016, 03:46.

Sep 22 2016

Merge branch 'integration' into doc-fixes
c10aa55fc15d
·Axel Kohlmeyer on Sep 22 2016, 15:19.
doc page sync with SVN
b3217218d67b
·Steve Plimpton on Sep 22 2016, 04:54.

Sep 21 2016

correct another broken link in fix ti/spring
2943dd5c12d6
·Axel Kohlmeyer on Sep 21 2016, 01:02.
remove references to docs for fix ti/rs
33d9a55d358f
·Axel Kohlmeyer on Sep 21 2016, 01:01.
correct broken link in updated fix ti/spring docs
5345efb5b87f
·Axel Kohlmeyer on Sep 21 2016, 00:57.
ignore generated files in html folder
9bedb8a1c9cf
·Axel Kohlmeyer on Sep 21 2016, 00:54.
update docs for pair style gauss/cut to document optional per pair cutoff
0d7e4f1e8827
·Axel Kohlmeyer on Sep 21 2016, 00:51.
remvoing doc/html
9ef748bbaaa9
·Steve Plimpton on Sep 21 2016, 00:46.

Sep 20 2016

fix ti/spring for eam/allow and eam/fs
5c37fccf49c2
·Steve Plimpton on Sep 20 2016, 20:10.
new fix ti/spring command, remove fix ti/rs
b9b044e180df
·Steve Plimpton on Sep 20 2016, 18:44.

Sep 17 2016

consolidate ignoring python bytecompiled cache files
aa9fe38c5c97
·Axel Kohlmeyer on Sep 17 2016, 15:50.

Sep 16 2016

comm tiled bug fix
abf05eed6171
·Steve Plimpton on Sep 16 2016, 18:31.

Sep 14 2016

resolved conflicts
2f298951cff2
·Steve Plimpton on Sep 14 2016, 18:22.
HTML update
717e719b8300
·Steve Plimpton on Sep 14 2016, 17:35.
Merge branch 'integration' of github.com:akohlmey/lammps into integration
10b4411d5b8f
·Steve Plimpton on Sep 14 2016, 01:22.
doc updates
c744b23c4c04
·Steve Plimpton on Sep 14 2016, 01:15.
Merge pull request #27 from akohlmey/small-bugfixes
a69e059be324
·sjplimp / GitHub on Sep 14 2016, 01:11.
Merge pull request #26 from rbberger/is_available_feature
dbc548dd8810
·sjplimp / GitHub on Sep 14 2016, 01:10.
added options to compute bond/local
25e518a4f40b
·Steve Plimpton on Sep 14 2016, 01:03.

Sep 13 2016

pair vashishta/table
ed52f9ea5e39
·Steve Plimpton on Sep 13 2016, 22:54.
final version of pair vashishta/table
944289b018a7
·Steve Plimpton on Sep 13 2016, 22:45.
Merge branch 'small-bugfixes' of github.com:akohlmey/lammps into small-bugfixes
51e4a568c9b1
·Axel Kohlmeyer on Sep 13 2016, 20:32.
fix qeq Kokkos bug fix by Stan
a8081d450728
·Steve Plimpton on Sep 13 2016, 18:54.

Sep 11 2016

update html file updated boundary.txt file
e53862ca4a23
·Axel Kohlmeyer on Sep 11 2016, 20:55.
document how using shrink-wrap boundaries can cause lost atoms in parallel
a64eb330e3a2
·Axel Kohlmeyer on Sep 11 2016, 20:48.

Sep 9 2016

update docs for lj/sf/dipole/sf
d70e051ecd7f
·Axel Kohlmeyer on Sep 9 2016, 16:00.
Add updated HTML documentation about new is_available feature category
e27869daf684
·Richard Berger on Sep 9 2016, 11:56.
Add documentation about new is_available feature category
dc0c0ab214d3
·Richard Berger on Sep 9 2016, 11:55.

Sep 8 2016

update html file
956af8cebb2c
·Axel Kohlmeyer on Sep 8 2016, 23:41.
update documentation for vashishta pair style
71eed1d612ab
·Axel Kohlmeyer on Sep 8 2016, 23:20.
Merge remote-tracking branch 'lammps-rw/integration' into vashishta-tabulation
fe581e8ced13
·Axel Kohlmeyer on Sep 8 2016, 22:21.
Merge pull request #24 from rbberger/info_command_styles
b866e0663b9f
·sjplimp / GitHub on Sep 8 2016, 22:16.
Merge pull request #23 from akohlmey/doc-corrections-and-updates
5d0da95a0b6d
·sjplimp / GitHub on Sep 8 2016, 22:15.
Update generated HTML docs of info command
1f901c9b2daa
·Richard Berger on Sep 8 2016, 15:53.
Update docs of info command
79b8f6320d62
·Richard Berger on Sep 8 2016, 15:53.

Sep 7 2016

created vashishta/table variant
43b05a60c70e
·Steve Plimpton on Sep 7 2016, 19:56.
correct internal links for Modify LAMMPS section
0fe7d1d3612c
·Axel Kohlmeyer on Sep 7 2016, 16:13.
correct reference in modify section
346ff4249833
·Axel Kohlmeyer on Sep 7 2016, 16:10.
regenerate html pages with new txt2rst tool
5feedbd8291d
·Axel Kohlmeyer on Sep 7 2016, 16:09.
replace backquote with regular quote and `` + '' with double quote.
44ce6fac4b91
·Axel Kohlmeyer on Sep 7 2016, 14:29.
Update discussion on parallel python packages. There seem to be only two left.
70d6718aa312
·Axel Kohlmeyer on Sep 7 2016, 13:42.
Make formatting and links more consistent and unique
348b677148ce
·Axel Kohlmeyer on Sep 7 2016, 13:41.
Enforce l,ule or l,ole command order for RST
4c783ea3b726
·Richard Berger / Axel Kohlmeyer on Sep 7 2016, 08:16.
Refactored code and escape RST special character '_'
9e8256aeb0b7
·Richard Berger / Axel Kohlmeyer on Sep 7 2016, 08:16.
Escape RST special character '^' and take care of special math cases
925f1bfb6fc9
·Richard Berger / Axel Kohlmeyer on Sep 7 2016, 08:16.
Escape RST special character '*' in final output
3f312244a01d
·Richard Berger / Axel Kohlmeyer on Sep 7 2016, 08:16.
replace :l,ule and :l,ole with :l :ule or :l :ole
55022d126306
·Axel Kohlmeyer on Sep 7 2016, 08:11.
avoid Inline substitution_reference start-string without end-string
0d491d483c23
·Axel Kohlmeyer on Sep 7 2016, 08:10.
correct error message text, sync with source
a31c5073706c
·Axel Kohlmeyer on Sep 7 2016, 04:15.

lammps/docmaster2c8a7a318a4a1a0786c0eba…

Oct 14 2016

Oct 12 2016

Oct 11 2016

Oct 10 2016

Oct 7 2016

Oct 6 2016

Oct 5 2016

Oct 4 2016

Oct 2 2016

Sep 30 2016

Sep 29 2016

Sep 27 2016

Sep 26 2016

Sep 23 2016

Sep 22 2016

Sep 21 2016

Sep 20 2016

Sep 17 2016

Sep 16 2016

Sep 14 2016

Sep 13 2016

Sep 11 2016

Sep 9 2016

Sep 8 2016

Sep 7 2016

lammps/doc
master2c8a7a318a4a1a0786c0eba…