Diffusion lammps (master) History

misc
master957263431aafcad7f5a8734…

Oct 4 2017

Ensure consistency with documentation
957263431aaf
·Ulf R. Pedersen / GitHub on Oct 4 2017, 09:38.

Oct 3 2017

make fix rhok examples more consistent with LAMMPS conventions:
f07719e924b2
·Axel Kohlmeyer on Oct 3 2017, 16:08.

Aug 31 2017

add reference outputs to temper/npt example
4d2ed30b3526
·Axel Kohlmeyer on Aug 31 2017, 20:13.
fully integrate temper/npt command into manual
f3dda30f8ef3
·Axel Kohlmeyer on Aug 31 2017, 19:53.

Jul 14 2017

move updated gauss_flow example to the correct folder
1c92eecea7fc
·Axel Kohlmeyer on Jul 14 2017, 20:01.

Jul 13 2017

Merge pull request #560 from aershadinia/master
d3a45f6d5057
·sjplimp / GitHub on Jul 13 2017, 19:22.

Jul 6 2017

make example input / output conform with LAMMPS conventions (no dump files, no…
7193fffe0d1c
·Axel Kohlmeyer on Jul 6 2017, 22:08.
some edits to make examples more illustrative.
47649ff50f3a
·Abdo on Jul 6 2017, 08:35.

Jul 5 2017

adjust EES wall input example to print out some thermodynamic info that can be…
d451dbb1a079
·Axel Kohlmeyer on Jul 5 2017, 19:54.
Examples moved
8e279d4ec84e
·Abdo on Jul 5 2017, 16:16.

Jun 22 2017

update examples for fix filter/corotate to comply with new CHARMM restrictions
b0ddabbcde94
·Axel Kohlmeyer on Jun 22 2017, 06:19.

Jun 15 2017

Merge pull request #527 from dstelter92/master
0a6b3f87901c
·sjplimp / GitHub on Jun 15 2017, 16:54.

Jun 14 2017

updated thermo_modify in example
e7634a44f442
·dstelter92 on Jun 14 2017, 19:11.
removed unneeded .gitignore
3214d639aa2e
·dstelter92 on Jun 14 2017, 18:26.
Added compute_scalar to fix_grem for easier output managment, updated example…
0ad66ecb89dc
·dstelter92 on Jun 14 2017, 18:18.

May 31 2017

add example input for compute cnp/atom
2b3c124e61d7
·Axel Kohlmeyer on May 31 2017, 06:43.

May 16 2017

import multi-element compatible pair style edip as edip/multi
35e92733e9da
·Axel Kohlmeyer on May 16 2017, 23:40.

May 11 2017

rename some USER/misc dirs
7c3b8e014c7b
·Steve Plimpton on May 11 2017, 18:15.
Merge pull request #466 from DallasTrinkle/meam-spline-multicomponent
deff6ffaac3b
·sjplimp / GitHub on May 11 2017, 17:22.

May 9 2017

add a couple of simple example single/multi-elment inputs for meam/spline pair…
d0da0639f02b
·Axel Kohlmeyer on May 9 2017, 21:51.

May 4 2017

new Section package and start doc pages and build scripts
addd87c0f7a4
·Steve Plimpton on May 4 2017, 19:22.

Mar 23 2017

include citation for reference paper into pair style momb
568b67eee9cb
·Axel Kohlmeyer on Mar 23 2017, 17:00.
make pair style momb example follow LAMMPS conventions more closely
865b41e2014e
·Axel Kohlmeyer on Mar 23 2017, 16:50.
add example log file generated from 17Nov16 version of lammps, make minimize…
02e65900e6ef
·Tonnam Balankura on Mar 23 2017, 16:03.
rename zhou to momb in examples
1075be7eca96
·Tonnam Balankura on Mar 23 2017, 15:18.

Mar 22 2017

Merge branch 'add-pair-zhou' of https://github.com/tonnamb/lammps into pull-417
43f27250b5a5
·Axel Kohlmeyer on Mar 22 2017, 19:05.

Mar 20 2017

re-ran example with fixed exchanges
5c39dfd74089
·dstelter92 on Mar 20 2017, 14:22.

Mar 19 2017

add examples for pair_zhou
d04ea8653dea
·Tonnam Balankura on Mar 19 2017, 02:21.

Mar 16 2017

simplify and shorten examples for fix filter/corotate and combine into a single…
bed288339e74
·Axel Kohlmeyer on Mar 16 2017, 20:02.

Mar 15 2017

Added fix filter/corotate.
c3ce3747e049
·lukin17 on Mar 15 2017, 11:34.

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 #389 from akohlmey/update-agni-potential
0798885bdb2a
·sjplimp / GitHub on Mar 7 2017, 17:35.
new neigh_modify exclude option, other SNAP changes
efaa4c67109f
·Steve Plimpton on Mar 7 2017, 17:31.
Fix more typos in examples
d6800405a518
·Richard Berger on Mar 7 2017, 06:57.

Feb 28 2017

Added Kolmogorov-Crespi potential
a1b40b902d3e
·Jaap Kroes on Feb 28 2017, 14:59.

Feb 24 2017

remove outdated log files, too.
9999f363a1f8
·Axel Kohlmeyer on Feb 24 2017, 21:34.
update AGNI potential for Al, reference runs and output and citation
a18b4ef4b0cf
·Axel Kohlmeyer on Feb 24 2017, 21:33.

Jan 17 2017

Merge pull request #339 from akohlmey/fixes-for-srp-example
c52a26382f89
·sjplimp / GitHub on Jan 17 2017, 17:36.
fix spring doc page update
5cd856c97f97
·Steve Plimpton on Jan 17 2017, 17:02.

Jan 16 2017

rather than adjusting the communication cutoff, we just print out the minimum…
0a2b78acb877
·Axel Kohlmeyer on Jan 16 2017, 21:47.

Nov 22 2016

small typo and changes
237307eda238
·dstelter92 on Nov 22 2016, 18:16.
bugfix when parsing mpirun
d58dd4f15989
·dstelter92 on Nov 22 2016, 18:13.
added readme for grem examples
ae70f1090f18
·dstelter92 on Nov 22 2016, 18:05.

Nov 21 2016

modified temper_grem name to fit conventions, re-ran example to match
dab232c542c1
·dstelter92 on Nov 21 2016, 18:02.

Nov 18 2016

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.

Nov 17 2016

revised temper_grem example, better file management
2a026c9ad8ea
·dstelter92 on Nov 17 2016, 18:53.
modified temper_grem example with more exchanges
4a3091f844ef
·dstelter92 on Nov 17 2016, 17:24.
Merge pull request #278 from akohlmey/pair-agni
74c0e4dd5c10
·sjplimp / GitHub on Nov 17 2016, 17:04.
Merge pull request #47 from dstelter92/grem-feature
4e62e58d291d
·Axel Kohlmeyer / GitHub on Nov 17 2016, 16:04.
Re-run example with debug off
5ac2d9532ed6
·dstelter92 on Nov 17 2016, 15:43.
turned off dev mode by default in temper_grem
19ac9d295995
·dstelter92 on Nov 17 2016, 15:31.
shorter example
9f313aac75f9
·dstelter92 on Nov 17 2016, 02:43.
file cleanup
0102c5dadc3b
·dstelter92 on Nov 17 2016, 02:38.
added internal tempering in grem with example
07e46b797a29
·dstelter92 on Nov 17 2016, 02:27.

Nov 16 2016

provide fix grem example input for nvt and npt
2e7fd513d4f9
·Axel Kohlmeyer on Nov 16 2016, 22:42.
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem…
82364d10e335
·Axel Kohlmeyer on Nov 16 2016, 22:11.
simplify multi-replica run by passing per-replica parameters as variables on…
683f514fac6a
·Axel Kohlmeyer on Nov 16 2016, 20:22.

Nov 14 2016

fix_modify is not longer needed
1c68e42ecc02
·Axel Kohlmeyer on Nov 14 2016, 19:43.
add multi-replica example for gREM
5f94b318062b
·Axel Kohlmeyer on Nov 14 2016, 16:12.
retrieve target temperature and pressure from fix npt. add sanity checks.
14c7cf419733
·Axel Kohlmeyer on Nov 14 2016, 05:18.
add example for gREM
26870f223d66
·Axel Kohlmeyer on Nov 14 2016, 05:18.

Nov 12 2016

add adatom and vacancy examples for AGNI pair style
b9770766a854
·Axel Kohlmeyer on Nov 12 2016, 00:19.

Nov 11 2016

add example demonstrating the use of fix addtorque
8e0fd8869724
·Axel Kohlmeyer on Nov 11 2016, 16:52.

Sep 21 2016

restore bugfixes and updates that were lost. flag time dependet. correct use of…
b27179bbef55
·Axel Kohlmeyer on Sep 21 2016, 13:27.

Sep 20 2016

new fix ti/spring command, remove fix ti/rs
b9b044e180df
·Steve Plimpton on Sep 20 2016, 18:44.

Feb 15 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14628 f3b2605a-c512-4ea7…
7512821dd62a
·sjplimp on Feb 15 2016, 22:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14627 f3b2605a-c512-4ea7…
507bde5b5a92
·sjplimp on Feb 15 2016, 22:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14626 f3b2605a-c512-4ea7…
ed9e16202518
·sjplimp on Feb 15 2016, 22:18.

Sep 26 2014

Fixing broken basal example
bf8b5e4d630a
·stamoor on Sep 26 2014, 19:00.

Apr 14 2014

Fixed broken basal example
1f0a6ae006ad
·stamoor on Apr 14 2014, 23:24.

Nov 4 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10956 f3b2605a-c512-4ea7…
90a2bccf8379
·sjplimp on Nov 4 2013, 21:54.

Jul 26 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10409 f3b2605a-c512-4ea7…
b12b9fced98e
·sjplimp on Jul 26 2013, 17:38.

Oct 27 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9027 f3b2605a-c512-4ea7…
fbc3f58a054a
·sjplimp on Oct 27 2012, 01:31.

lammps/examples/USER/miscmaster957263431aafcad7f5a8734…

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lammps/examples/USER/misc
master957263431aafcad7f5a8734…