Diffusion lammps (master) History

History
master690f91300b6307f82f42ce9…

Sep 14 2016

Raise exception and output error if ulb,ule and olb,ole are unbalanced
c61d5a1a2959
·Richard Berger on Sep 14 2016, 01:53.
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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15573 f3b2605a-c512-4ea7…
206f4e18a64e
·sjplimp on Sep 14 2016, 01:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15572 f3b2605a-c512-4ea7…
b3fa20718f0c
·sjplimp on Sep 14 2016, 01:05.
Update unit tests to reflect new behavior
1dc19eceb2d7
·Richard Berger on Sep 14 2016, 01:03.
Add indentation to multi-paragraph entries
ae6b540d3cca
·Richard Berger on Sep 14 2016, 01:03.
added options to compute bond/local
25e518a4f40b
·Steve Plimpton on Sep 14 2016, 01:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15571 f3b2605a-c512-4ea7…
9d0e85392555
·sjplimp on Sep 14 2016, 00:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15570 f3b2605a-c512-4ea7…
babaa839b0c2
·sjplimp on Sep 14 2016, 00:55.

Sep 13 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15569 f3b2605a-c512-4ea7…
9f3118341a30
·sjplimp on Sep 13 2016, 23:00.
clean-up of example files
fe2fca4e9b3b
·Steve Plimpton on Sep 13 2016, 22:58.
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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15568 f3b2605a-c512-4ea7…
342421babb28
·sjplimp on Sep 13 2016, 22:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15567 f3b2605a-c512-4ea7…
423052134b98
·sjplimp on Sep 13 2016, 22:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15566 f3b2605a-c512-4ea7…
fd5363fb6e38
·sjplimp on Sep 13 2016, 22:42.
flag 'allocated' must be initialized in constructor
80c5b01bfcd6
·Axel Kohlmeyer on Sep 13 2016, 20:33.
Merge branch 'small-bugfixes' of github.com:akohlmey/lammps into small-bugfixes
51e4a568c9b1
·Axel Kohlmeyer on Sep 13 2016, 20:32.
Remove references to former empty file
300d1ef52e23
·Richard Berger on Sep 13 2016, 20:17.
remove empty file
633840c87672
·Richard Berger on Sep 13 2016, 19:46.
Created more complete TOC and indices
c44228b0ccec
·Richard Berger on Sep 13 2016, 19:40.
Filter out more header numbers
90f6395ddc58
·Richard Berger on Sep 13 2016, 19:31.
fix qeq Kokkos bug fix by Stan
a8081d450728
·Steve Plimpton on Sep 13 2016, 18:54.
ignore Makefile.lammps in lib tree
14bed44743d6
·Axel Kohlmeyer on Sep 13 2016, 15:36.
ignore *.mod generated by fortran compilers
18cacb8e1dab
·Axel Kohlmeyer on Sep 13 2016, 15:36.
Escape pipe characters
546582ea0251
·Richard Berger on Sep 13 2016, 05:18.
making a few more in-page links unique. some more small corrections and clenups
b76a42d3e0a6
·Axel Kohlmeyer on Sep 13 2016, 01:57.

Sep 12 2016

Fixing Kokkos bugs
d913f5e09409
·stamoor on Sep 12 2016, 23:09.
more doc formatting issues triggering errors/warnings in sphinx
54d5a14fe3d6
·Axel Kohlmeyer on Sep 12 2016, 20:48.
some more smaller doc file cleanups. almost there...
f6efde373083
·Axel Kohlmeyer on Sep 12 2016, 19:37.
more typesetting corrections in docs indicated by sphinx warnings
4c399fc55339
·Axel Kohlmeyer on Sep 12 2016, 18:23.
correct various formatting issues flagged by sphinx
328b7abeaa49
·Axel Kohlmeyer on Sep 12 2016, 05:24.
correct references to Howto subsections
c3de3c142f95
·Axel Kohlmeyer on Sep 12 2016, 05:01.
avoid bad typesetting of include images
80f94c7d0253
·Axel Kohlmeyer on Sep 12 2016, 02:09.
updates in "Getting Started" for running on Windows.
e11bfcf11706
·Axel Kohlmeyer on Sep 12 2016, 02:09.
update html files with recent changes
be1cf40f2be5
·Axel Kohlmeyer on Sep 12 2016, 01:34.
correct and improve typesetting for various sub-sub-subsections in "Getting…
555a02786ddd
·Axel Kohlmeyer on Sep 12 2016, 01:28.
update description of Windows support in "Getting started" Section
cf6f504977cb
·Axel Kohlmeyer on Sep 12 2016, 01:07.
correct and improve links to PyMol and MATLAB
b698f389bc6f
·Axel Kohlmeyer on Sep 12 2016, 00:46.

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.
regenerate html pages with the updated content from the corrections
e96a8a46772c
·Axel Kohlmeyer on Sep 11 2016, 03:15.
correct section link descriptions
f8d5488409e3
·Axel Kohlmeyer on Sep 11 2016, 03:03.
Give credit to Richard for being the lammps.org and senior jenkins wrangler
4d298ccf2fff
·Axel Kohlmeyer on Sep 11 2016, 02:18.
place ellipses in square brackets to avoid sphinx choking on them
cb3044091ca7
·Axel Kohlmeyer on Sep 11 2016, 02:05.

Sep 10 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15564 f3b2605a-c512-4ea7…
a8d7ca367de4
·sjplimp on Sep 10 2016, 22:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15563 f3b2605a-c512-4ea7…
99d5bf89bcdc
·sjplimp on Sep 10 2016, 21:48.

Sep 9 2016

update docs for lj/sf/dipole/sf
d70e051ecd7f
·Axel Kohlmeyer on Sep 9 2016, 16:00.
restore c++ marker in header comment
37833b537b9b
·Axel Kohlmeyer on Sep 9 2016, 15:43.
simplify phonon code some more
5fcbfa824820
·Axel Kohlmeyer on Sep 9 2016, 15:40.
simplify code
c437195928a0
·Axel Kohlmeyer on Sep 9 2016, 15:40.
import updated pair lj/sf/dipole/sf files from sam genheden
8b1ef1c686cb
·Axel Kohlmeyer on Sep 9 2016, 15:37.
fix typo in comments
c3e8cb2f30c5
·Axel Kohlmeyer on Sep 9 2016, 15:34.
update error message to be consistent with other styles
365707704cf8
·Axel Kohlmeyer on Sep 9 2016, 15:19.
require an atom map for compute voronoi/atom occupation
16323ba391ea
·Axel Kohlmeyer on Sep 9 2016, 13:39.
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.
Add feature category to is_available function
4b22443b25d2
·Richard Berger on Sep 9 2016, 11:09.

Sep 8 2016

update html file
956af8cebb2c
·Axel Kohlmeyer on Sep 8 2016, 23:41.
Merge remote-tracking branch 'lammps-rw/integration' into vashishta-tabulation
5c927ca8398e
·Axel Kohlmeyer on Sep 8 2016, 23:22.
implement vashishta/table/omp in USER-OMP
4bb42be3cc09
·Axel Kohlmeyer on Sep 8 2016, 23:22.
update vashishta pair style example
7de51430504e
·Axel Kohlmeyer on Sep 8 2016, 23:21.
update documentation for vashishta pair style
71eed1d612ab
·Axel Kohlmeyer on Sep 8 2016, 23:20.
sync with GH
1dd7a13d8233
·sjplimp on Sep 8 2016, 22:37.
Merge branch 'small' into integration
dd34feb2bdc6
·Steve Plimpton on Sep 8 2016, 22:35.
Merge branch 'small-bugfixes' of https://github.com/akohlmey/lammps into small
2524c5b52654
·Steve Plimpton on Sep 8 2016, 22:31.
Merge remote-tracking branch 'lammps-rw/integration' into vashishta-tabulation
fe581e8ced13
·Axel Kohlmeyer on Sep 8 2016, 22:21.
sync with GH
b190abea390e
·sjplimp on Sep 8 2016, 22:20.
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.
Merge pull request #22 from akohlmey/colvars-update
07e55ef61e7d
·sjplimp / GitHub on Sep 8 2016, 22:14.
Kokkos lib update
236ebf7fabbb
·Steve Plimpton on Sep 8 2016, 21:56.
ignore all variants of the vashishta pair styles in src/
a6df1e53b43f
·Axel Kohlmeyer on Sep 8 2016, 20:46.
remove executable permissions on non-executables and non-scripts
9b2d5ff3e72d
·Axel Kohlmeyer on Sep 8 2016, 20:45.
delete duplicate fclose() in fix ttm/mod constructor
c33e1049d8dd
·Axel Kohlmeyer on Sep 8 2016, 17:51.
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.
Change info command styles syntax
2dcfb51d1807
·Richard Berger on Sep 8 2016, 15:38.
Use factory for region style creation
ba2b523bf4b7
·Richard Berger on Sep 8 2016, 15:38.
Use factory for dump style creation
fd2b88642278
·Richard Berger on Sep 8 2016, 15:38.
Use factory for minimize style creation
9952d8a210fc
·Richard Berger on Sep 8 2016, 15:38.
Use factory for integrate style creation
85c132943ed5
·Richard Berger on Sep 8 2016, 15:38.
Add missing delete in destructor
55260ad53e5b
·Richard Berger on Sep 8 2016, 15:32.
Use factory for AtomVec style creation
a1e5fc0fca8f
·Richard Berger on Sep 8 2016, 15:32.
Cleanup force.h after refactoring
88e10b401d5e
·Richard Berger on Sep 8 2016, 15:32.
Use factory for kspace style creation
1d03913aa307
·Richard Berger on Sep 8 2016, 15:32.
Use factory for improper style creation
0745a9f33f41
·Richard Berger on Sep 8 2016, 15:32.
Use factory for dihedral style creation
906c50223af6
·Richard Berger on Sep 8 2016, 15:32.
Use factory for angle style creation
35bdeb63e266
·Richard Berger on Sep 8 2016, 15:32.
Use factory for bond style creation
69c58ef0d5df
·Richard Berger on Sep 8 2016, 15:32.
Use pair_map to list pair styles
95ee6440add0
·Richard Berger on Sep 8 2016, 15:32.
Use compute_map and fix_map to list compute and fix styles
00b08bb5e1fe
·Richard Berger on Sep 8 2016, 15:32.
Use command_map to list command styles
e483cb9ef977
·Richard Berger on Sep 8 2016, 15:32.
Add styles output to info command
06e3a11c2dd5
·Richard Berger on Sep 8 2016, 15:32.

Sep 7 2016

undo changes to vashishita/omp
7e8440cbab58
·Steve Plimpton on Sep 7 2016, 20:02.
created vashishta/table variant
43b05a60c70e
·Steve Plimpton on Sep 7 2016, 19:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15560 f3b2605a-c512-4ea7…
06b7d56e168f
·sjplimp on Sep 7 2016, 19:17.

Historymaster690f91300b6307f82f42ce9…

Sep 14 2016

Sep 13 2016

Sep 12 2016

Sep 11 2016

Sep 10 2016

Sep 9 2016

Sep 8 2016

Sep 7 2016

History
master690f91300b6307f82f42ce9…