Diffusion lammps (master) History

src
master920641bbffbc4b87f947155…

Mar 7 2017

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.
Third batch of spelling fixes in manual
007f3c66a033
·Richard Berger on Mar 7 2017, 06:51.

Mar 6 2017

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

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 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 26 2017

sync GHub with SVN
f8506fee23e1
·Steve Plimpton on Jan 26 2017, 22:06.

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.
Merge pull request #315 from Pakketeretet2/github-tutorial-update
9b348d567bd6
·sjplimp / GitHub on Jan 6 2017, 18:01.
Merge pull request #309 from giacomofiorin/colvars-2016-12-22
41a6a3076e17
·sjplimp / GitHub on Jan 6 2017, 17:58.
polish the introduction, some more clarifications, corrections and formatting…
6af56e686d6a
·Axel Kohlmeyer on Jan 6 2017, 14:31.
typo fixed
eb1c6a225c1b
·Stefan Paquay on Jan 6 2017, 11:54.
Merged Axel's suggestions and updated text
4d0a6d83bdcb
·Stefan Paquay on Jan 6 2017, 11:51.
Merge branch 'github-tutorial-update' of https://github.
958722573f72
·Stefan Paquay on Jan 6 2017, 11:44.
Updated text and images on reverse pull requests
9d4667097274
·Stefan Paquay on Jan 6 2017, 11:44.
Updated text and images on reverse pull requests
1a9f2df3d04a
·Stefan Paquay on Jan 6 2017, 11:44.

Jan 4 2017

some formatting updates and text rewrites in the "do not use git add -a" section
fe14158c10b7
·Axel Kohlmeyer on Jan 4 2017, 19:13.
Highlighted the assignee, maintainer changes, and mentioned LAMMPS collaborator
0bcbcca14043
·Stefan Paquay on Jan 4 2017, 17:28.
Added explaination for assignee, changes pushed by others and collaborator.
933b288ce934
·Stefan Paquay on Jan 4 2017, 14:31.

Jan 3 2017

Add warning formatting
4f45d39ac72b
·Richard Berger on Jan 3 2017, 02:34.

Jan 2 2017

make it more explicit, that master needs to be updated and feature branches…
7d057d4c8368
·Axel Kohlmeyer on Jan 2 2017, 19:02.
Updated some inconsistent text.
4f096dbad5cd
·Stefan Paquay on Jan 2 2017, 18:53.
Small changes to tutorial text.
18b12efc9f6f
·Stefan Paquay on Jan 2 2017, 18:25.
Second update round to text and images, a third will follow after succesful…
2c7fea1e0d01
·Stefan Paquay on Jan 2 2017, 18:15.
Almost done with the tutorial now
4d98bbdfa502
·Stefan Paquay on Jan 2 2017, 18:08.
Finally updated the github tutorial.
391ab761a40d
·Stefan Paquay on Jan 2 2017, 17:55.

Dec 28 2016

Moved fix_nvk to USER-MISC, updated documentation to reflect move
aa146e9b383c
·Efrem Braun on Dec 28 2016, 19:06.
Made documentation changes to fix nvk
68814d4fc818
·Efrem Braun on Dec 28 2016, 16:26.
Fix nvk implemented.
616ca1de0345
·Efrem Braun on Dec 28 2016, 16:17.

Dec 27 2016

Fix typo
925f42727f32
·Giacomo Fiorin on Dec 27 2016, 20:26.
Update Colvars library to version 2016-12-22
f553e230dbcb
·Giacomo Fiorin on Dec 27 2016, 19:17.

Dec 22 2016

USER-DPD: update documentation for changes in commit 3faa57
781daad2a02d
·Tim Mattox on Dec 22 2016, 23:31.

Dec 21 2016

21Dec16 patch
62dea1bb6345
·Steve Plimpton on Dec 21 2016, 17:53.

Dec 16 2016

17Dec16 patch
81a2db8a0cbc
·Steve Plimpton on Dec 16 2016, 19:36.
patch 16Dec16
3027ac92507e
·Steve Plimpton on Dec 16 2016, 18:30.
added length keyword to python command
e364b80724ae
·Steve Plimpton on Dec 16 2016, 18:24.

Dec 14 2016

patch 13Dec16: neighbor refactor, Stan pppm/disp bug fix, M Brown INTEL package…
f509f133afd9
·Steve Plimpton on Dec 14 2016, 01:14.
Merge pull request #298 from akohlmey/collected-small-fixes
f3b355bcbea7
·sjplimp / GitHub on Dec 14 2016, 00:23.
added functionity to lib interface
ae5764beac4e
·Steve Plimpton on Dec 14 2016, 00:22.

Dec 9 2016

make fix gcmc command overview consistent
ddf678da5161
·Axel Kohlmeyer on Dec 9 2016, 20:30.

Dec 8 2016

Fixed small typos in doc
d3d5ac17bf67
·Efrem Braun on Dec 8 2016, 04:37.

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.

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lammps/doc/src
master920641bbffbc4b87f947155…