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Diffusion lammps (lammps-icms) Graph

lammps/python
lammps-icms

History Graph

CommitAuthorDetailsCommitted
a394d1b4362eRichard Berger
Updated README in python folder 
Jul 18 2016
45204726d881Richard Berger
Revert to 2 spaces for Steve 
Jul 18 2016
7bc6d1cfd253Richard Berger
Updated ipython examples 
Jul 14 2016
b232cc29dff7Richard Berger
Rename wrappers to PyLammps and IPyLammps 
Jul 14 2016
ed555b86ddf0Richard Berger
Add import for Py2 and Py3 compatibility 
Jul 14 2016
85d7e571e310Richard Berger
Add bonds, angles, dihedrals and impropers information to Python wrapper 
Jul 14 2016
ee0a8a9d37daRichard Berger
Update iPython interface usage example 
Jun 28 2016
dbd3a4d78376Richard Berger
Add support for atom style variable values 
Jun 28 2016
baa39e88a0acRichard Berger
Fix extraction of atom style variable 
Jun 28 2016
f876973bcccbRichard Berger
Merge remote-tracking branch 'upstream/lammps-icms' into… 
Jun 8 2016
34bf28cce05cMartin Bauer
Another Python3 compatibility fix 
Jun 7 2016
b68a2b91ab4bRichard Berger
Fix data type of stored value 
May 31 2016
2a9581db807dRichard Berger
Added expanded example to showcase new interface usage 
May 26 2016
e7262acc4626Richard Berger
Simplify access to system, comm, variable and atom data 
May 26 2016
171e1318781cRichard Berger
Added function to evaluate arbitrary expressions 
May 26 2016
f4078ed7f763Richard Berger
Added easy way to access variable value 
May 26 2016
8df11e192d02Richard Berger
Add properties to Python LAMMPS wrapper to access info command data 
May 26 2016
03bde1b220bbRichard Berger
Added iPython example and tutorial 
May 24 2016
1ccc918d36f9Richard Berger
First version of more compact Python wrapper for LAMMPS 
May 24 2016
6193893f8983Richard Berger
Reformat python interface 
May 24 2016
674da56554b9Axel Kohlmeyer
make .gitignore python3 compatible 
May 20 2016
19b9fef0b1ccMartin Bauer
Fix typo in lammps.py 
May 20 2016
2e01e2160e45Axel Kohlmeyer
Merge branch 'merge-pull-55' into lammps-icms. add python3 compatibility 
May 11 2016
fb13d99fa3cdMartin Bauer
lammps.py: Python3 Compatibility 
May 11 2016
1f7823d87a56Martin Bauer
Python install.py: Python3 Compatibility 
May 11 2016
a70623ee430fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14592 f3b2605a-c512-4ea7… 
Feb 15 2016
c81b3b2c1f93Axel Kohlmeyer
update LAMMPS version automatically from source code 
Feb 11 2016
7183e000e738Axel Kohlmeyer
load lammps shared object for directory in LD_LIBRARY_PATH, if not found in… 
Feb 11 2016
f5c2e4c8954dAxel Kohlmeyer
change python module installer to try installing into user-site dir if global… 
Feb 11 2016
e7d896a45938Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 10 2015
87a47d8b9956sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14330 f3b2605a-c512-4ea7… 
Dec 9 2015
900a3aaf9d7bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14328 f3b2605a-c512-4ea7… 
Dec 9 2015
6eed163c7b2csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14327 f3b2605a-c512-4ea7… 
Dec 9 2015
e000e4a04f45sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14326 f3b2605a-c512-4ea7… 
Dec 9 2015
cacf29bc56e2Axel Kohlmeyer
update lammps python wrapper to support passing in a communicator from mpi4py 
Dec 8 2015
b10ae0abaf08sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14270 f3b2605a-c512-4ea7… 
Nov 21 2015
328f0070fe42Axel Kohlmeyer
fix stupid typo 
Nov 12 2015
a7c5dfeefe91Axel Kohlmeyer
correct memory leak and incorrect access to global vectors and arrays for fixes… 
Nov 12 2015
ae980d6fd1f7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13986 f3b2605a-c512-4ea7… 
Sep 2 2015
233a9edfa848Axel Kohlmeyer
expose numetical version id to library and python interface 
Sep 1 2015
5e2ecf7ec3ceAxel Kohlmeyer
handle lammps python module instances with names correctly. 
Jul 10 2015
0449d00dcadeAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 3 2015
79e142b2ca43sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13511 f3b2605a-c512-4ea7… 
Jul 2 2015
d47d0de2b2bbAxel Kohlmeyer
simpler way to determine the source file location 
Jun 30 2015
567d5a49cf2aAxel Kohlmeyer
find LAMMPS shared object location for ctypes loading from introspection 
Jun 29 2015
54233c58b148Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 18 2015
fb2a894e03e3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13236 f3b2605a-c512-4ea7… 
Mar 17 2015
65f4f1e938dcAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 14 2015
6f706543febcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13233 f3b2605a-c512-4ea7… 
Mar 13 2015
1ed2f052c7dcAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 8 2014
3b9563910ef8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12173 f3b2605a-c512-4ea7… 
Jul 7 2014
1ee7cb100d97Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 8 2014
87d0ff963b49sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12098 f3b2605a-c512-4ea7… 
Jun 7 2014
d5a534235500sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12097 f3b2605a-c512-4ea7… 
Jun 7 2014
46e8e6c12078Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 18 2014
f4a776d4c3e0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11247 f3b2605a-c512-4ea7… 
Jan 17 2014
44917aeac7c2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10064 f3b2605a-c512-4ea7… 
Jun 10 2013
d91cbdf9235esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10063 f3b2605a-c512-4ea7… 
Jun 10 2013
1f5dcb1ecf10Axel Kohlmeyer
use more portable shebang line in python scripts 
Jun 9 2013
8a912603a5f0Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 12 2013
3ba07ca1e613sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9641 f3b2605a-c512-4ea7… 
Mar 11 2013
e5cc471307baAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Nov 26 2012
ed53c9d2d538sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9036 f3b2605a-c512-4ea7… 
Nov 7 2012
5a75a6c82772Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Oct 26 2012
8663c9229319sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9012 f3b2605a-c512-4ea7… 
Oct 25 2012
13dd457ae76fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9001 f3b2605a-c512-4ea7… 
Oct 25 2012
e2283d16092bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9000 f3b2605a-c512-4ea7… 
Oct 25 2012
f865058700c8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8999 f3b2605a-c512-4ea7… 
Oct 25 2012
788b01cd7186Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Aug 18 2012
d4215d884402sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8675 f3b2605a-c512-4ea7… 
Aug 16 2012
2e7bd3367f6bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8672 f3b2605a-c512-4ea7… 
Aug 15 2012
448637286853sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8670 f3b2605a-c512-4ea7… 
Aug 15 2012
ffc41c52c5cdAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Aug 15 2012
6139908a11e2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8664 f3b2605a-c512-4ea7… 
Aug 15 2012
7487754a4d4asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8659 f3b2605a-c512-4ea7… 
Aug 14 2012
7f5e8cb8962csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8656 f3b2605a-c512-4ea7… 
Aug 14 2012
1512b14f9809sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8649 f3b2605a-c512-4ea7… 
Aug 14 2012
01830d476bc0Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Aug 14 2012
9bb3b04ec4d1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8633 f3b2605a-c512-4ea7… 
Aug 14 2012
8df0f9c2e6e5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8631 f3b2605a-c512-4ea7… 
Aug 14 2012
6f4f134d4db2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8630 f3b2605a-c512-4ea7… 
Aug 14 2012
0ea3d01f099csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8616 f3b2605a-c512-4ea7… 
Aug 13 2012
ee7f12334d6fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8603 f3b2605a-c512-4ea7… 
Aug 11 2012
c6878811f01csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8602 f3b2605a-c512-4ea7… 
Aug 11 2012
959946a023c9Axel Kohlmeyer
import patch from joe jordan to find the lammps DSO automatically 
Apr 27 2012
00944a2b95f3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7856 f3b2605a-c512-4ea7… 
Feb 28 2012
7eef27acfde1Axel Kohlmeyer
bugfix for changing STUBS-MPI to plain C 
Feb 24 2012
92b9766cf116Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Feb 7 2012
4c98b2d1a935sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7710 f3b2605a-c512-4ea7… 
Feb 6 2012
9259ae869929Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 1 2012
5a158918de4esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7237 f3b2605a-c512-4ea7… 
Nov 28 2011
17413fb144f0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6493 f3b2605a-c512-4ea7… 
Jul 1 2011
e42d61f775faAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Nov 30 2010
3524795784ccsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5335 f3b2605a-c512-4ea7… 
Nov 29 2010
1226d999b4e4Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Nov 25 2010
9e0598d91891sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5323 f3b2605a-c512-4ea7… 
Nov 24 2010
5d199c90cd8dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5320 f3b2605a-c512-4ea7… 
Nov 24 2010
509fe6fe17cbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5319 f3b2605a-c512-4ea7… 
Nov 24 2010
ab7699eecd04sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5318 f3b2605a-c512-4ea7… 
Nov 24 2010
3ed80aea4d8csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5317 f3b2605a-c512-4ea7… 
Nov 24 2010
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