Diffusion lammps (master) History

lammps/doc
master8318c6781697cdb8dd88a32…

Nov 30 2016

30Nov16 patch
fb3f597f411c
·Steve Plimpton on Nov 30 2016, 22:04.
Merge pull request #289 from akohlmey/collected-updates-and-bugfixes
d14814ae2efe
·sjplimp / GitHub on Nov 30 2016, 22:02.
new compute global/atom command, also bug fix for descending dump sorts
beb5a30f6750
·Steve Plimpton on Nov 30 2016, 22:01.

Nov 29 2016

fix typo in compute cluster/atom docs
42d430168b8a
·Axel Kohlmeyer on Nov 29 2016, 13:24.

Nov 28 2016

correct broken link to USER-SMD docs PDF
02ae2d218af5
·Axel Kohlmeyer on Nov 28 2016, 17:34.

Nov 23 2016

fix typo and USER-OMP support omission
87781771baf8
·Axel Kohlmeyer on Nov 23 2016, 15:02.

Nov 22 2016

final prep for 22Nov patch
59d100ab57f6
·Steve Plimpton on Nov 22 2016, 17:23.
Merge pull request #287 from rbberger/pylammps/docs
b6f2f0e6e95f
·sjplimp / GitHub on Nov 22 2016, 16:50.
Merge pull request #286 from akohlmey/small-fixes-and-updates
ff0441ac164e
·sjplimp / GitHub on Nov 22 2016, 16:49.
Merge pull request #285 from akohlmey/fix-ipi-update
41907d3110de
·sjplimp / GitHub on Nov 22 2016, 16:48.
small changes to temper/grem commands
b95f255af4d4
·Steve Plimpton on Nov 22 2016, 16:47.

Nov 20 2016

A tiny bugfix for the reset flag, and a brief explanation of the changes
87a5a35bad56
·Michele Ceriotti on Nov 20 2016, 00:44.

Nov 19 2016

correct accelerator flags for dpd styles in pair style overview
230b29eae652
·Axel Kohlmeyer on Nov 19 2016, 17:47.
Created PyLammps documentation
2383c31f1565
·Richard Berger on Nov 19 2016, 07:58.

Nov 18 2016

also remove generated html files with 'make clean' in docs folder
d787afcca964
·Axel Kohlmeyer on Nov 18 2016, 21:37.
minor cleanups
176cde8ed32b
·Axel Kohlmeyer on Nov 18 2016, 21:36.
Merge branch 'master' into grem-feature
2862c2081501
·Axel Kohlmeyer on Nov 18 2016, 20:51.
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem…
78e018829fd2
·Axel Kohlmeyer on Nov 18 2016, 20:48.
new 17Nov16 patch and stable
4b51719e67c2
·Steve Plimpton on Nov 18 2016, 00:51.
compute pressure doc change
25d7be5f3dd5
·Steve Plimpton on Nov 18 2016, 00:11.

Nov 17 2016

Merge pull request #278 from akohlmey/pair-agni
74c0e4dd5c10
·sjplimp / GitHub on Nov 17 2016, 17:04.
Merge pull request #276 from akohlmey/doc-updates
073e8a052485
·sjplimp / GitHub on Nov 17 2016, 17:02.
Merge pull request #271 from akohlmey/tersoff-modc
2535e44991a2
·sjplimp / GitHub on Nov 17 2016, 17:00.
revised documentation, added temper_grem ref to fix_grem
747c95c52528
·dstelter92 on Nov 17 2016, 17:00.
Kokkos updates by Stan
8756a1017dc8
·Steve Plimpton on Nov 17 2016, 16:58.
added documention, re-ran temper_grem example
5c64934bc812
·dstelter92 on Nov 17 2016, 16:40.

Nov 16 2016

integrate fix grem docs and update to match current conventions
b45d1e37ef0e
·Axel Kohlmeyer on Nov 16 2016, 22:46.
removed leftover tex files
16c8a307e536
·dstelter92 on Nov 16 2016, 21:39.
spell check, minor typos
94f14ab0510c
·dstelter92 on Nov 16 2016, 21:34.
Added basic documentation for grem fix
4641c9e56844
·dstelter92 on Nov 16 2016, 19:36.

Nov 12 2016

update documentation metadata files for recent changes
57124b9b2509
·Axel Kohlmeyer on Nov 12 2016, 15:18.
add documentation for pair style agni
03b3834fe3b2
·Axel Kohlmeyer on Nov 12 2016, 15:07.

Nov 10 2016

Merge branch 'master' into doc-updates
1f38e1a7717d
·Axel Kohlmeyer on Nov 10 2016, 00:18.

Nov 9 2016

Stan bug fixes for fix reaxc/bonds/kk
9806da69f3f9
·Steve Plimpton on Nov 9 2016, 23:47.
correct typo in formula
c55fd502e0b9
·Axel Kohlmeyer on Nov 9 2016, 21:04.
integrate pair style tersoff/mod/c contributed by Ganga P Purja Pun (GMU)
71ee2ecaa1e0
·Axel Kohlmeyer on Nov 9 2016, 20:52.
Merge pull request #268 from arielzn/born_dsf
bfea3dce7dab
·sjplimp / GitHub on Nov 9 2016, 19:57.
fixed links in Section_intro.txt
2c801320c26a
·Steve Plimpton on Nov 9 2016, 19:46.

Nov 8 2016

sync with SVN for creation of stable release
a23b287a7aac
·Steve Plimpton on Nov 8 2016, 17:05.
sync with SVN
31204aab6a1b
·Steve Plimpton on Nov 8 2016, 16:57.
documentation added for born/coul/dsf and born/coul/dsf/cs styles
25e7d074cfa4
·arielzn on Nov 8 2016, 16:51.

Nov 4 2016

info styles also prints out pair styles
3a3d96b8770b
·Axel Kohlmeyer on Nov 4 2016, 23:18.
Merge pull request #252 from akohlmey/preinstalled-vs-scm
77bbf03f0f85
·sjplimp / GitHub on Nov 4 2016, 17:59.
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.

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lammps/doc
master8318c6781697cdb8dd88a32…