Diffusion lammps (master) History

lammps/doc
master

Nov 4 2016

Merge pull request #248 from akohlmey/collected-small-fixes
f0131393e00a
·sjplimp / GitHub on Nov 4 2016, 17:58.
added examples/threebody, fix reaxc/speceies/kk
f48b71f46ba6
·Steve Plimpton on Nov 4 2016, 17:56.
remove the misleading "(which it is by default)" from several doc files
6cc4eb19af55
·Axel Kohlmeyer on Nov 4 2016, 17:20.

Nov 1 2016

remove work repetitions for 'the'
7fdd6e280771
·Axel Kohlmeyer on Nov 1 2016, 16:40.
remove word repetitions for 'a'
2e0d304c7eeb
·Axel Kohlmeyer on Nov 1 2016, 16:36.

Oct 27 2016

new library functions
d9891abdf4d5
·Steve Plimpton on Oct 27 2016, 17:34.

Oct 25 2016

Merge pull request #238 from giacomofiorin/colvars-2016-10-24
ad5f7c458196
·sjplimp / GitHub on Oct 25 2016, 18:32.
fix issue with docs for orientorder/atom compute reported by @andeplane
63eada242554
·Axel Kohlmeyer on Oct 25 2016, 18:12.
doc page changes
9c81ad1ab6e3
·Steve Plimpton on Oct 25 2016, 17:45.

Oct 24 2016

update documentation pdf for updated colvars lib
f8367e3d0fee
·Axel Kohlmeyer on Oct 24 2016, 23:49.

Oct 21 2016

ignore mobi file as well
607246f92310
·Axel Kohlmeyer on Oct 21 2016, 19:25.
remove mobi file format creation from makefile and explain it in README instead
6742fb634aa9
·Axel Kohlmeyer on Oct 21 2016, 18:05.
ignore generated PDF and ePUB files
ed3f02f24944
·Axel Kohlmeyer on Oct 21 2016, 18:04.

Oct 20 2016

Add support for ebook generation in ePUB and mobi format
2cf77ff778ef
·Axel Kohlmeyer on Oct 20 2016, 22:16.
support generation of manual in ePUB format
8c3f5cb30700
·Axel Kohlmeyer on Oct 20 2016, 15:27.

Oct 19 2016

forgot pair table change
9954d5d34668
·Steve Plimpton on Oct 19 2016, 18:47.
Merge pull request #229 from akohlmey/small-corrections
b0cf1ded38ab
·sjplimp / GitHub on Oct 19 2016, 16:57.
Merge pull request #226 from akohlmey/pair-gauss-mixing
393337e7cfa2
·sjplimp / GitHub on Oct 19 2016, 16:37.
account for new fix halt properly in PDF and online docs
566effc9c961
·Axel Kohlmeyer on Oct 19 2016, 15:08.
add mixing for pair styles gauss and gauss/cut contributed by andrew jewett.
7b7cb297e6be
·Axel Kohlmeyer on Oct 19 2016, 04:26.

Oct 18 2016

Merge branch 'master' into user-nc-dump
5a6dea7a2217
·Axel Kohlmeyer on Oct 18 2016, 21:36.
new fix halt command, other sundry small bug fixes
2106dce2b382
·Steve Plimpton on Oct 18 2016, 21:11.

Oct 16 2016

fix typo
e4ff8128f1b2
·Axel Kohlmeyer on Oct 16 2016, 18:29.

Oct 14 2016

Merge pull request #220 from rbberger/fix-doc-makefile
d11363c7eb76
·sjplimp / GitHub on Oct 14 2016, 01:00.
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 13 2016

Allow building other targets without Python3 and virtualenv
95cca1bd9f63
·Richard Berger on Oct 13 2016, 17:40.

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.
add doc file to toctree
e10ea91c5f42
·Axel Kohlmeyer on Oct 12 2016, 05:51.
updates for recent changes to the manual
b75860048bd7
·Axel Kohlmeyer on Oct 12 2016, 05:50.
import dump nc and dump nc/mpiio from lammps-netcdf as USER-NC-DUMP package by…
69cb83170599
·Axel Kohlmeyer on Oct 12 2016, 05:44.

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.

lammps/docmaster

Nov 4 2016

Nov 1 2016

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Sep 26 2016

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Sep 13 2016

lammps/doc
master