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Diffusion lammps (lammps-icms) Graph

lammps/python
lammps-icms

History Graph

CommitAuthorDetailsCommitted
6eca661e4a54Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 17 2016
484122b8b610sjplimp
sync with GH 
Sep 16 2016
214494477854Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 1 2016
159d722cc2e7sjplimp
removing searchindex.js 
Sep 1 2016
f94bbc0de05esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15532 f3b2605a-c512-4ea7… 
Sep 1 2016
7abc52d4cfc2Axel Kohlmeyer
Merge branch 'python_interface_enhancements' of https://github. 
Aug 10 2016
57d7a4a6ad5fRichard Berger
Add utility function to IPyLammps for embedding videos 
Aug 10 2016
054b1cedb06dRichard Berger
Add verbose option in PyLammps methods 
Aug 10 2016
3eba86e650f2Axel Kohlmeyer
builtins module doesn't seem to exist in some older python 2.x installations. 
Aug 10 2016
77ce967888b5Axel Kohlmeyer
Merge branch 'python_interface_enhancements' of https://github. 
Aug 10 2016
0ab96350f088Axel Kohlmeyer
python2/3 portability changes suggested by futurize -1 
Aug 10 2016
ae3f4173c0b4Axel Kohlmeyer
apply changes suggested by futurize -1 -2 for improved python 2/3 compatibility 
Aug 9 2016
39b643a94bf6Richard Berger
Allow setting the position of atoms 
Aug 9 2016
0a75617f4d9aRichard Berger
Return 2D vectors in 2D cases 
Aug 9 2016
c17e700e866eRichard Berger
Fix resource leak 
Aug 9 2016
c76672ab86e3Axel Kohlmeyer
remove erroneously added backup files 
Jul 23 2016
01881e6fcc2dAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 23 2016
7dc6873c513csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15360 f3b2605a-c512-4ea7… 
Jul 23 2016
952a0d1fb776sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15359 f3b2605a-c512-4ea7… 
Jul 23 2016
778f4d338c78sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15358 f3b2605a-c512-4ea7… 
Jul 23 2016
182425df1593Axel Kohlmeyer
add new API to library interface lammps_get_thermo(). include support in python… 
Jul 22 2016
a569a871c1e0Axel Kohlmeyer
shorten >80 char comment lines 
Jul 20 2016
2b8a3a076ad9Axel Kohlmeyer
some python3 porting of pizza.py code 
Jul 20 2016
21ea3ccfb76dAxel Kohlmeyer
start porting some LAMMPS python module examples to python3 with compatibility… 
Jul 19 2016
fe5554735b3dAxel Kohlmeyer
make destructor and close() function in PyLammps() class safe against… 
Jul 19 2016
9a76df95c3daAxel Kohlmeyer
make IPyLammps() class compatible with lammps() and PyLammps() arguments 
Jul 19 2016
899c5401ab42Axel Kohlmeyer
accept PyLammps() and lammps() objects for ptr argument and initialize as needed 
Jul 19 2016
0aebb2eabea6Axel Kohlmeyer
add type checking to 'ptr' argument for lammps() class constructor. raise… 
Jul 19 2016
4ac8af8bea5cAxel Kohlmeyer
support destructor and close(), version(), command() and file() methods from… 
Jul 19 2016
fcd4d7ceb709Axel Kohlmeyer
make PyLammps() constructor take the same arguments as lammps() and forward… 
Jul 19 2016
052de8440f4aAxel Kohlmeyer
derive class lammps from object to follow the usual python conventions 
Jul 19 2016
b83e4c82ec36Axel Kohlmeyer
Merge branch 'improved_python_interface' of https://github.com/rbberger/lammps… 
Jul 19 2016
763f72fa3937Richard Berger
Updated iPython notebooks (Py2 and Py3 compatible) 
Jul 19 2016
abad5dfe3cbcRichard Berger
Better Python 2 support and simpler construction 
Jul 19 2016
f33447dad502Axel Kohlmeyer
Merge branch 'improved_python_interface' of https://github.com/rbberger/lammps… 
Jul 18 2016
a394d1b4362eRichard Berger
Updated README in python folder 
Jul 18 2016
ffab7ebba579Axel Kohlmeyer
fully restore steve's python formatting style 
Jul 18 2016
45204726d881Richard Berger
Revert to 2 spaces for Steve 
Jul 18 2016
80fce623ec65sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15326 f3b2605a-c512-4ea7… 
Jul 16 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
194a51216854sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15087 f3b2605a-c512-4ea7… 
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
c3a95c782bd6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15039 f3b2605a-c512-4ea7… 
May 12 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
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