Homec4science
Diffusion lammps (master) Graph

lammps/examples
master

History Graph

CommitAuthorDetailsCommitted
44841f689127Steve Plimpton
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof 
Mar 23 2017
568b67eee9cbAxel Kohlmeyer
include citation for reference paper into pair style momb 
Mar 23 2017
865b41e2014eAxel Kohlmeyer
make pair style momb example follow LAMMPS conventions more closely 
Mar 23 2017
02e65900e6efTonnam Balankura
add example log file generated from 17Nov16 version of lammps, make minimize… 
Mar 23 2017
1075be7eca96Tonnam Balankura
rename zhou to momb in examples 
Mar 23 2017
43f27250b5a5Axel Kohlmeyer
Merge branch 'add-pair-zhou' of https://github.com/tonnamb/lammps into pull-417 
Mar 22 2017
743508437575Oliver Henrich
Verified oxDNA with modified nucleotide layout 
Mar 22 2017
5c39dfd74089dstelter92
re-ran example with fixed exchanges 
Mar 20 2017
d04ea8653deaTonnam Balankura
add examples for pair_zhou 
Mar 19 2017
bed288339e74Axel Kohlmeyer
simplify and shorten examples for fix filter/corotate and combine into a single… 
Mar 16 2017
8f37285b056aAbdoreza Ershadinia/GitHub
UPLOAD examples 
Mar 16 2017
ef72145540a5Abdoreza Ershadinia/GitHub
Readme for examples 
Mar 16 2017
0d8f74f0c52eAxel Kohlmeyer
Merge branch 'filter_corotate' of https://github.com/lukin17/lammps into pull… 
Mar 15 2017
c3ce3747e049lukin17
Added fix filter/corotate. 
Mar 15 2017
7a75cd111c3dOliver Henrich
Minor updates in documentation and setup tool, merge before upgrade to oxDNA2 
Mar 14 2017
23b828793333Oliver Henrich
Updated documentation and simple setup tool 
Mar 14 2017
920641bbffbcsjplimp/GitHub
Merge pull request #399 from rbberger/docs_spelling_fixes 
Mar 7 2017
4af6557568e7sjplimp/GitHub
Merge pull request #394 from jaapkroe/kolmogorov-crespi 
Mar 7 2017
0798885bdb2asjplimp/GitHub
Merge pull request #389 from akohlmey/update-agni-potential 
Mar 7 2017
efaa4c67109fSteve Plimpton
new neigh_modify exclude option, other SNAP changes 
Mar 7 2017
d6800405a518Richard Berger
Fix more typos in examples 
Mar 7 2017
17486a9319f8Richard Berger
Convert USER/lb/polymer files to UNIX line endings and remove trailing… 
Mar 6 2017
778a79b8eef7Richard Berger
Fix typos in examples folder 
Mar 6 2017
a1b40b902d3eJaap Kroes
Added Kolmogorov-Crespi potential 
Feb 28 2017
9999f363a1f8Axel Kohlmeyer
remove outdated log files, too. 
Feb 24 2017
a18b4ef4b0cfAxel Kohlmeyer
update AGNI potential for Al, reference runs and output and citation 
Feb 24 2017
429264a12bacsjplimp/GitHub
Merge pull request #380 from hheenen/core_shell_documentation 
Feb 21 2017
1cd4c48cccdbSteve Plimpton
new SNAP potential for W 
Feb 21 2017
48070011d9b7Axel Kohlmeyer/GitHub
update names in example, too 
Feb 14 2017
6b923476b96cHendrik Heenen
updated documentation and examples for coreshell 
Feb 14 2017
0068ef56168fSteve Plimpton
added molecule option to compute group/group command 
Feb 10 2017
3af4b3c28c8bsjplimp/GitHub
Merge pull request #337 from ohenrich/user-cgdna 
Jan 18 2017
c52a26382f89sjplimp/GitHub
Merge pull request #339 from akohlmey/fixes-for-srp-example 
Jan 17 2017
973bef4d4527sjplimp/GitHub
Merge pull request #332 from akohlmey/coord-atom-orientorder-atom-enhancements 
Jan 17 2017
1b9e50c8cbaasjplimp/GitHub
Merge pull request #331 from timattox/USER-DPD_fix_example_typo 
Jan 17 2017
5cd856c97f97Steve Plimpton
fix spring doc page update 
Jan 17 2017
0a2b78acb877Axel Kohlmeyer
rather than adjusting the communication cutoff, we just print out the minimum… 
Jan 16 2017
8360e70f4ebdAxel Kohlmeyer
update USER-CGDNA examples to follow LAMMPS style 
Jan 14 2017
96259ea2d2bdOliver Henrich
Added source code and documentation for USER-CGDNA 
Jan 13 2017
622d9268491dAxel Kohlmeyer
adapt example inputs for TAD and PRD to the change in compute coord/atom 
Jan 10 2017
d06688bb9170Tim Mattox
USER-DPD: fix a typo in the DPD-H example input; update reference output. 
Jan 10 2017
c31f1e9f2252Steve Plimpton
add fix mscg command, example, lib 
Jan 9 2017
c301d70333a9Tim Mattox
USER-DPD: update example input and output (see commits 3faa57 and eff7238) 
Dec 22 2016
ba96fcc15a3fTim Mattox
USER-DPD: update reference output to reflect changes from commit eff7238 
Dec 22 2016
647c6f00ce2bAxel Kohlmeyer
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into… 
Nov 22 2016
237307eda238dstelter92
small typo and changes 
Nov 22 2016
d58dd4f15989dstelter92
bugfix when parsing mpirun 
Nov 22 2016
ae70f1090f18dstelter92
added readme for grem examples 
Nov 22 2016
ff0441ac164esjplimp/GitHub
Merge pull request #286 from akohlmey/small-fixes-and-updates 
Nov 22 2016
dab232c542c1dstelter92
modified temper_grem name to fit conventions, re-ran example to match 
Nov 21 2016
2862c2081501Axel Kohlmeyer
Merge branch 'master' into grem-feature 
Nov 18 2016
78e018829fd2Axel Kohlmeyer
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem… 
Nov 18 2016
635f3ce128ecAxel Kohlmeyer
synchronize USER-SMD examples with code 
Nov 18 2016
2a026c9ad8eadstelter92
revised temper_grem example, better file management 
Nov 17 2016
4a3091f844efdstelter92
modified temper_grem example with more exchanges 
Nov 17 2016
74c0e4dd5c10sjplimp/GitHub
Merge pull request #278 from akohlmey/pair-agni 
Nov 17 2016
073e8a052485sjplimp/GitHub
Merge pull request #276 from akohlmey/doc-updates 
Nov 17 2016
2535e44991a2sjplimp/GitHub
Merge pull request #271 from akohlmey/tersoff-modc 
Nov 17 2016
4e62e58d291dAxel Kohlmeyer/GitHub
Merge pull request #47 from dstelter92/grem-feature 
Nov 17 2016
5ac2d9532ed6dstelter92
Re-run example with debug off 
Nov 17 2016
19ac9d295995dstelter92
turned off dev mode by default in temper_grem 
Nov 17 2016
9f313aac75f9dstelter92
shorter example 
Nov 17 2016
0102c5dadc3bdstelter92
file cleanup 
Nov 17 2016
07e46b797a29dstelter92
added internal tempering in grem with example 
Nov 17 2016
2e7fd513d4f9Axel Kohlmeyer
provide fix grem example input for nvt and npt 
Nov 16 2016
82364d10e335Axel Kohlmeyer
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem… 
Nov 16 2016
683f514fac6aAxel Kohlmeyer
simplify multi-replica run by passing per-replica parameters as variables on… 
Nov 16 2016
1c68e42ecc02Axel Kohlmeyer
fix_modify is not longer needed 
Nov 14 2016
5f94b318062bAxel Kohlmeyer
add multi-replica example for gREM 
Nov 14 2016
14c7cf419733Axel Kohlmeyer
retrieve target temperature and pressure from fix npt. add sanity checks. 
Nov 14 2016
26870f223d66Axel Kohlmeyer
add example for gREM 
Nov 14 2016
b9770766a854Axel Kohlmeyer
add adatom and vacancy examples for AGNI pair style 
Nov 12 2016
8e0fd8869724Axel Kohlmeyer
add example demonstrating the use of fix addtorque 
Nov 11 2016
9806da69f3f9Steve Plimpton
Stan bug fixes for fix reaxc/bonds/kk 
Nov 9 2016
71ee2ecaa1e0Axel Kohlmeyer
integrate pair style tersoff/mod/c contributed by Ganga P Purja Pun (GMU) 
Nov 9 2016
9de1a2a08fabarielzn
added input using born/coul/dsf/cs to examples/coreshell 
Nov 8 2016
f48b71f46ba6Steve Plimpton
added examples/threebody, fix reaxc/speceies/kk 
Nov 4 2016
d9891abdf4d5Steve Plimpton
new library functions 
Oct 27 2016
2106dce2b382Steve Plimpton
new fix halt command, other sundry small bug fixes 
Oct 18 2016
6f1162927a78sjplimp/GitHub
Merge pull request #207 from timattox/USER-DPD_new_VV_for_DPD 
Oct 11 2016
04f5eadcf14aSteve Plimpton
added LAST option to dump_modify thresh, more restart info printed out to screen 
Oct 11 2016
9789f047d78eTim Mattox
USER-DPD: update the USER/dpd examples and their reference outputs 
Oct 7 2016
e27ed6c94a2eTim Mattox
USER-DPD: Added support to use VV integrator with USER-DPD if desired. Includes… 
Oct 7 2016
54fc194e5b33sjplimp/GitHub
Merge pull request #199 from akohlmey/small-changes 
Oct 6 2016
b3d2fb91bb6cSteve Plimpton
new fix wall/gran/region command, REBO bug fix, new example log files 
Oct 6 2016
493873fb933dSteve Plimpton
clean up doc src 
Oct 6 2016
fd16118cbb22A Bartok-Partay
removed dump_modify command 
Oct 6 2016
02bfa898eeb1Steve Plimpton
adjustments to balancing weights and factors, also XOR op for formulas, if… 
Oct 5 2016
c46be7db625eSteve Plimpton
changes to imbalance weight factors 
Oct 5 2016
91edee25302asjplimp/GitHub
Merge pull request #186 from akohlmey/small-bugfixes 
Sep 30 2016
b9d0f96a1923Steve Plimpton
change purge target in Makefile, also fixed one issue with Make.py 
Sep 30 2016
4337f2c240d7Axel Kohlmeyer
include charmm22 and charmm36 cmap files and include date added signature 
Sep 30 2016
446e7e736936Steve Plimpton
patch for allowing prd command to work with sorted atoms 
Sep 29 2016
35705217f4bbSteve Plimpton
enable multi-processor NEB replicas 
Sep 27 2016
9a2f7386731eSteve Plimpton
sync with SVN 
Sep 27 2016
f9677e6d7b71Steve Plimpton
released version of weighted balancing 
Sep 27 2016
47b52ed2ddf4Axel Kohlmeyer
Merge branch 'integration' into balance2 
Sep 26 2016
b97b9dd66188Steve Plimpton
new fix cmap command 
Sep 26 2016
08f0bf90253eSteve Plimpton
new verion of balance weighting 
Sep 23 2016
b27179bbef55Axel Kohlmeyer
restore bugfixes and updates that were lost. flag time dependet. correct use of… 
Sep 21 2016
Prev
1
2
3
Next
c4science · Help