Diffusion lammps (master) History

lammps/doc
master31a734b03d620c9aef0ecac…

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.
Merge pull request #494 from rbberger/small_updates
952b18fc0284
·sjplimp / GitHub on May 30 2017, 18:51.
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 22 2017

Merge remote-tracking branch 'upstream/master' into small_updates
06a4f47a4c37
·Richard Berger on May 22 2017, 23:14.

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.
Force PDF documentation build to fail on first error
9593e05c9ec5
·Richard Berger on May 19 2017, 01:37.
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.
lock the sphinx command to version 1.5.6, since version 1.6.x seems to break…
bd11479a1688
·Axel Kohlmeyer on May 18 2017, 06:50.
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.

lammps/docmaster31a734b03d620c9aef0ecac…

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lammps/doc
master31a734b03d620c9aef0ecac…