Diffusion lammps (master) History

src
masterdaa77176add6f9edb3058a5…

Jun 10 2017

add restart support to fix deform. only "initial" data is restored and some…
daa77176add6
·Axel Kohlmeyer on Jun 10 2017, 23:28.

Jun 6 2017

some more bookkeeping updates triggered by the lj/sf style removal
1f9504c54622
·Axel Kohlmeyer on Jun 6 2017, 23:31.
alias pair style lj/sf to lj/smooth/linear and remove/update related files
5cb56796a22f
·Axel Kohlmeyer on Jun 6 2017, 23:26.
update e-mail and affiliation for stefan paquay in USER-MANIFOLD related files
cd67eaa5f42a
·Axel Kohlmeyer on Jun 6 2017, 22:26.

Jun 5 2017

add clarification to impact of special bonds to manybody potentials
ff58ccac2870
·Axel Kohlmeyer on Jun 5 2017, 03:21.

Jun 1 2017

remove no longer correct sentence from set command docs
af5f19604cce
·Axel Kohlmeyer on Jun 1 2017, 05:36.

May 31 2017

support atom style variables for assigning image flags with the set command
167a51538e16
·Axel Kohlmeyer on May 31 2017, 03:52.

May 30 2017

Added missing :pre to doc/src/fix_adapt.txt
cace3e3530cb
·Stefan Paquay on May 30 2017, 22:08.
Merge pull request #506 from lammps/snap
286d4f2743f8
·sjplimp / GitHub on May 30 2017, 21:32.
SNAP changes by Aidan
22fdb1fc1407
·Steve Plimpton on May 30 2017, 18:21.

May 27 2017

Merge branch 'user-manifold-doc-fix' of https://github.com/Pakketeretet2/lammps…
de446ace2fec
·Axel Kohlmeyer on May 27 2017, 00:44.

May 26 2017

Fixed typo in dox.
2055110e05d0
·Stefan Paquay on May 26 2017, 23:38.

May 24 2017

Merge branch 'pair_morse_soft-doc-fix' of https://github.
ead05f81c09c
·Axel Kohlmeyer on May 24 2017, 19:56.
Cleaned up docs for pair_mores, a missing :pre ruined formatting.
4f9e7cbd161f
·Stefan Paquay on May 24 2017, 19:36.

May 21 2017

small documentation fixes to fix typos and formatting issues
97d3c843c44a
·Axel Kohlmeyer on May 21 2017, 17:13.

May 19 2017

patch 19May17
2225fce94eee
·Steve Plimpton on May 19 2017, 15:35.
a few formatting fixes for pair style python
8751850ecaa8
·Axel Kohlmeyer on May 19 2017, 00:34.

May 18 2017

update docs before patch release
b28ecd44c25d
·Steve Plimpton on May 18 2017, 21:14.
Merge pull request #482 from akohlmey/add-pair-python
6ac9b7a1b070
·sjplimp / GitHub on May 18 2017, 19:15.
Merge pull request #487 from akohlmey/pair_edip_multi_element
5d38cbbce9c6
·sjplimp / GitHub on May 18 2017, 17:13.
Merge pull request #484 from akohlmey/add-gao-weber-styles
aa09f45b7e1e
·sjplimp / GitHub on May 18 2017, 17:10.
Merge pull request #481 from akohlmey/collected-small-changes
683f3d9d2ac3
·sjplimp / GitHub on May 18 2017, 17:01.
small formatting corrections to pair python style
24654ad28f37
·Axel Kohlmeyer on May 18 2017, 06:38.
update pair style python docs
9725708b90b9
·Axel Kohlmeyer on May 18 2017, 06:29.
add partial documentation for pair style python
1d48f287f00a
·Axel Kohlmeyer on May 18 2017, 01:05.

May 17 2017

move pair gw and gw/zbl to USER-MISC package
278b9f7fba47
·Axel Kohlmeyer on May 17 2017, 20:59.
fix typo in docs
085f3afdfb08
·Axel Kohlmeyer on May 17 2017, 15:59.

May 16 2017

fix duplicate reference
597f95fb1b29
·Axel Kohlmeyer on May 16 2017, 23:53.
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
7f9a331c7355
·Steve Plimpton on May 16 2017, 23:51.
import multi-element compatible pair style edip as edip/multi
35e92733e9da
·Axel Kohlmeyer on May 16 2017, 23:40.
fix typo in rerun docs. closes #486
66084ad1f41a
·Axel Kohlmeyer on May 16 2017, 10:27.

May 13 2017

two small doc corrections from Andrew Jewett for pair style gauss and dihedral…
c5db3ff40126
·Axel Kohlmeyer on May 13 2017, 05:27.

May 12 2017

fixup docs after last change
b6a70ec6fd74
·Richard Berger on May 12 2017, 06:34.
Allow fix python to only execute every N steps
c4d0f0709331
·Richard Berger on May 12 2017, 06:29.
Add documentation about fix python
93f603306126
·Richard Berger on May 12 2017, 05:50.
implement a `python source` command as suggested in issue #454
27a6371f9b52
·Axel Kohlmeyer on May 12 2017, 01:18.

May 11 2017

Merge pull request #473 from akohlmey/compress-for-reaxc-fixes
998eb44e836f
·sjplimp / GitHub on May 11 2017, 17:25.
Merge pull request #471 from akohlmey/fix-4may2017-issues
96d1de857539
·sjplimp / GitHub on May 11 2017, 17:24.
Merge pull request #466 from DallasTrinkle/meam-spline-multicomponent
deff6ffaac3b
·sjplimp / GitHub on May 11 2017, 17:22.

May 10 2017

add support for gzip compressed output to fix reax/bonds, reax/c/bonds and…
abeb1e096ab6
·Axel Kohlmeyer on May 10 2017, 17:19.

May 9 2017

correct broken links and references in documentation
29ae8d4ca3b9
·Axel Kohlmeyer on May 9 2017, 23:15.
neighbor list bugfix to prevent cycle in copy lists
08ec55743e47
·Steve Plimpton on May 9 2017, 16:55.

May 6 2017

Merge remote-tracking branch 'upstream/master' into python_refactoring
f8af7edf927b
·Richard Berger on May 6 2017, 22:00.

May 4 2017

patch 4May17
51c6d502687b
·Steve Plimpton on May 4 2017, 19:46.
Merge pull request #452 from akohlmey/small-fixes-and-updates
dcc5472cba99
·sjplimp / GitHub on May 4 2017, 19:23.
new Section package and start doc pages and build scripts
addd87c0f7a4
·Steve Plimpton on May 4 2017, 19:22.

May 3 2017

print warning about minimization energy with fix box/relax
7f49ee8fd747
·Axel Kohlmeyer on May 3 2017, 21:33.

Apr 29 2017

Updated version of equations, documentation.
8bddf105bf7a
·DallasTrinkle on Apr 29 2017, 03:22.

Apr 28 2017

Cleanup on equations; JPG to be constructed.
31446e35b9b4
·DallasTrinkle on Apr 28 2017, 22:31.
Updates to pair/meam/spline documentation.
9bdc43bb66ee
·DallasTrinkle on Apr 28 2017, 22:15.
Updates to documentation: equation.
a0b61d17b56a
·DallasTrinkle on Apr 28 2017, 22:08.

Apr 27 2017

rename references to USER-CG-CMM to USER-CGSDK
af748745162c
·Axel Kohlmeyer on Apr 27 2017, 01:27.

Apr 26 2017

correct units for some improper force constants in docs
8f9cb3590a32
·Axel Kohlmeyer on Apr 26 2017, 21:34.

Apr 25 2017

detect and refuse to run pair style srp together with fix rigid
ddc1e4e86ea7
·Axel Kohlmeyer on Apr 25 2017, 19:27.

Apr 21 2017

correct broken link in html bond doc overview
396e0b54234d
·Axel Kohlmeyer on Apr 21 2017, 20:02.
add support to pair_modify to selectively disable compute/tally callbacks in…
4e411364ffa4
·Axel Kohlmeyer on Apr 21 2017, 20:01.

Apr 18 2017

update for fix gle docs from michele ceriotti
dfa9815246c3
·Axel Kohlmeyer on Apr 18 2017, 23:07.

Apr 17 2017

correct 'thrid' instead of 'third'
481927ff16ed
·Axel Kohlmeyer on Apr 17 2017, 23:49.
refactor msi2lmp documentation to emphasize lack of active development
dd90c860ee62
·Axel Kohlmeyer on Apr 17 2017, 23:40.

Apr 14 2017

remove doc text explaining restrictions that are lifted with the changes in…
c9bc14133537
·Axel Kohlmeyer on Apr 14 2017, 18:57.

Apr 13 2017

patch 13Apr17
2f32fb7f8bda
·Steve Plimpton on Apr 13 2017, 19:19.

Apr 11 2017

patch 11Apr17
4da8c1c4e2be
·Steve Plimpton on Apr 11 2017, 17:00.
fix gcmc updates from Aidan, trimming of output for replica commands
49dd9449b875
·Steve Plimpton on Apr 11 2017, 16:35.
Merge pull request #445 from Pakketeretet2/extract_for_bond
06cebb9fb4b8
·sjplimp / GitHub on Apr 11 2017, 16:27.
Merge pull request #444 from ohenrich/user-cgdna
b9d844ca8dcb
·sjplimp / GitHub on Apr 11 2017, 16:25.
correct link for dispersion parameter how-to and reformat
84ea8a79e6b2
·Axel Kohlmeyer on Apr 11 2017, 02:43.

Apr 4 2017

Merge branch 'master' into user-cgdna
497a5d88af88
·Oliver Henrich on Apr 4 2017, 21:03.
Minor update to docu
8993daaa31db
·Oliver Henrich on Apr 4 2017, 20:54.
Made fix adapt work with bond_harmonic.
28e86917a05e
·Stefan Paquay on Apr 4 2017, 18:35.

Mar 30 2017

patch 31Mar17 for stable release
ae56b9ad8915
·Steve Plimpton on Mar 30 2017, 18:07.

Mar 29 2017

Updated lammps.book and install script
c733204a700c
·Oliver Henrich on Mar 29 2017, 09:28.

Mar 28 2017

sync with SVN
4b9d0a956632
·Steve Plimpton on Mar 28 2017, 21:26.
patch 28Mar17
0637f2387518
·Steve Plimpton on Mar 28 2017, 21:12.
Merge pull request #437 from ohenrich/user-cgdna
9f6e126a2f2e
·sjplimp / GitHub on Mar 28 2017, 20:52.
Merge pull request #434 from akohlmey/imgflags-in-library
80e5111dcabc
·sjplimp / GitHub on Mar 28 2017, 20:50.
Merge branch 'master' into fixes-for-stable
1d8f0c762d2c
·Axel Kohlmeyer on Mar 28 2017, 20:37.
fix gcmc units change for chemical potential
111d350a223f
·Steve Plimpton on Mar 28 2017, 20:34.
Resolved merge conflict
66a6375405b6
·Oliver Henrich on Mar 28 2017, 19:58.
Update to oxDNA2
604afebf6fef
·Oliver Henrich on Mar 28 2017, 19:22.
Upgrade to oxDNA2
8afed61db1c8
·Oliver Henrich on Mar 28 2017, 19:16.
synchronize dump custom/vtk documentation with that of dump custom
f8da9a866a73
·Axel Kohlmeyer on Mar 28 2017, 17:00.
add some docs for the special treatment of image flags
fc51c38abb2b
·Axel Kohlmeyer on Mar 28 2017, 08:22.

Mar 27 2017

fix problems with references
a241b2d0f7c8
·Axel Kohlmeyer on Mar 27 2017, 21:01.
remove references to xmovie, streamline dump and viz descriptions
61e7595a94bf
·Axel Kohlmeyer on Mar 27 2017, 20:59.

Mar 24 2017

24Mar17 patch sync with SVN
3dfe4505ddcb
·Steve Plimpton on Mar 24 2017, 22:17.
new CHARMM pair styles with force swithing/shifting
394e9b42b06a
·Steve Plimpton on Mar 24 2017, 20:53.
Merge pull request #429 from akohlmey/updates-for-stable
f5a85d68add0
·sjplimp / GitHub on Mar 24 2017, 17:01.
Merge pull request #417 from tonnamb/add-pair-zhou
277b93cb8956
·sjplimp / GitHub on Mar 24 2017, 16:41.

Mar 23 2017

Merge branch 'master' into updates-for-stable
8820315ff96a
·Axel Kohlmeyer on Mar 23 2017, 22:57.
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
44841f689127
·Steve Plimpton on Mar 23 2017, 22:31.
remove one more reference to xmovie
2cdcd6d63045
·Axel Kohlmeyer on Mar 23 2017, 21:03.
rename a couple more references to pair style zhou into momb
b88a7496808b
·Axel Kohlmeyer on Mar 23 2017, 16:38.
change name zhou to momb in docs, fix grammar
6d395ec511b3
·Tonnam Balankura on Mar 23 2017, 15:08.

Mar 22 2017

edit description and add related commands and default
bf560e78f348
·Tonnam Balankura on Mar 22 2017, 21:56.
Revert "Cleanup of a few more references to obsoleted and removed tools like…
1db5834b99d0
·Axel Kohlmeyer on Mar 22 2017, 20:12.
Revert "correct inconsistent anchors"
3070b043be1b
·Axel Kohlmeyer on Mar 22 2017, 20:12.
Revert "remove reference to removed section on VMD scripts"
ef3f323fc47d
·Axel Kohlmeyer on Mar 22 2017, 20:12.
remove reference to removed section on VMD scripts
43a304f56451
·Axel Kohlmeyer on Mar 22 2017, 20:12.
correct inconsistent anchors
a79aef65e84a
·Axel Kohlmeyer on Mar 22 2017, 20:12.
remove reference to removed section on VMD scripts
66eb9c248620
·Axel Kohlmeyer on Mar 22 2017, 20:01.

lammps/doc/srcmasterdaa77176add6f9edb3058a5…

Jun 10 2017

Jun 6 2017

Jun 5 2017

Jun 1 2017

May 31 2017

May 30 2017

May 27 2017

May 26 2017

May 24 2017

May 21 2017

May 19 2017

May 18 2017

May 17 2017

May 16 2017

May 13 2017

May 12 2017

May 11 2017

May 10 2017

May 9 2017

May 6 2017

May 4 2017

May 3 2017

Apr 29 2017

Apr 28 2017

Apr 27 2017

Apr 26 2017

Apr 25 2017

Apr 21 2017

Apr 18 2017

Apr 17 2017

Apr 14 2017

Apr 13 2017

Apr 11 2017

Apr 4 2017

Mar 30 2017

Mar 29 2017

Mar 28 2017

Mar 27 2017

Mar 24 2017

Mar 23 2017

Mar 22 2017

lammps/doc/src
masterdaa77176add6f9edb3058a5…