Diffusion lammps (master) History

lammps/python
mastere7e5ba4e468854a8a848efd…

Sep 17 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
6eca661e4a54
·Axel Kohlmeyer on Sep 17 2016, 13:38.

Sep 16 2016

sync with GH
484122b8b610
·sjplimp on Sep 16 2016, 21:21.

Sep 1 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
214494477854
·Axel Kohlmeyer on Sep 1 2016, 12:24.
removing searchindex.js
159d722cc2e7
·sjplimp on Sep 1 2016, 03:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15532 f3b2605a-c512-4ea7…
f94bbc0de05e
·sjplimp on Sep 1 2016, 00:21.

Aug 10 2016

Merge branch 'python_interface_enhancements' of https://github.
7abc52d4cfc2
·Axel Kohlmeyer on Aug 10 2016, 21:50.
Add utility function to IPyLammps for embedding videos
57d7a4a6ad5f
·Richard Berger on Aug 10 2016, 20:35.
Add verbose option in PyLammps methods
054b1cedb06d
·Richard Berger on Aug 10 2016, 20:31.
builtins module doesn't seem to exist in some older python 2.x installations.
3eba86e650f2
·Axel Kohlmeyer on Aug 10 2016, 02:57.
Merge branch 'python_interface_enhancements' of https://github.
77ce967888b5
·Axel Kohlmeyer on Aug 10 2016, 01:36.
python2/3 portability changes suggested by futurize -1
0ab96350f088
·Axel Kohlmeyer on Aug 10 2016, 00:36.

Aug 9 2016

apply changes suggested by futurize -1 -2 for improved python 2/3 compatibility
ae3f4173c0b4
·Axel Kohlmeyer on Aug 9 2016, 22:04.
Allow setting the position of atoms
39b643a94bf6
·Richard Berger on Aug 9 2016, 10:11.
Return 2D vectors in 2D cases
0a75617f4d9a
·Richard Berger on Aug 9 2016, 10:11.
Fix resource leak
c17e700e866e
·Richard Berger on Aug 9 2016, 10:08.

Jul 23 2016

remove erroneously added backup files
c76672ab86e3
·Axel Kohlmeyer on Jul 23 2016, 12:30.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
01881e6fcc2d
·Axel Kohlmeyer on Jul 23 2016, 12:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15360 f3b2605a-c512-4ea7…
7dc6873c513c
·sjplimp on Jul 23 2016, 00:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15359 f3b2605a-c512-4ea7…
952a0d1fb776
·sjplimp on Jul 23 2016, 00:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15358 f3b2605a-c512-4ea7…
778f4d338c78
·sjplimp on Jul 23 2016, 00:57.

Jul 22 2016

add new API to library interface lammps_get_thermo(). include support in python…
182425df1593
·Axel Kohlmeyer on Jul 22 2016, 01:43.

Jul 20 2016

shorten >80 char comment lines
a569a871c1e0
·Axel Kohlmeyer on Jul 20 2016, 05:06.
some python3 porting of pizza.py code
2b8a3a076ad9
·Axel Kohlmeyer on Jul 20 2016, 00:06.

Jul 19 2016

start porting some LAMMPS python module examples to python3 with compatibility…
21ea3ccfb76d
·Axel Kohlmeyer on Jul 19 2016, 22:59.
make destructor and close() function in PyLammps() class safe against…
fe5554735b3d
·Axel Kohlmeyer on Jul 19 2016, 05:16.
make IPyLammps() class compatible with lammps() and PyLammps() arguments
9a76df95c3da
·Axel Kohlmeyer on Jul 19 2016, 05:15.
accept PyLammps() and lammps() objects for ptr argument and initialize as needed
899c5401ab42
·Axel Kohlmeyer on Jul 19 2016, 05:14.
add type checking to 'ptr' argument for lammps() class constructor. raise…
0aebb2eabea6
·Axel Kohlmeyer on Jul 19 2016, 05:12.
support destructor and close(), version(), command() and file() methods from…
4ac8af8bea5c
·Axel Kohlmeyer on Jul 19 2016, 03:17.
make PyLammps() constructor take the same arguments as lammps() and forward…
fcd4d7ceb709
·Axel Kohlmeyer on Jul 19 2016, 03:15.
derive class lammps from object to follow the usual python conventions
052de8440f4a
·Axel Kohlmeyer on Jul 19 2016, 03:13.
Merge branch 'improved_python_interface' of https://github.com/rbberger/lammps…
b83e4c82ec36
·Axel Kohlmeyer on Jul 19 2016, 00:25.
Updated iPython notebooks (Py2 and Py3 compatible)
763f72fa3937
·Richard Berger on Jul 19 2016, 00:23.
Better Python 2 support and simpler construction
abad5dfe3cbc
·Richard Berger on Jul 19 2016, 00:21.

Jul 18 2016

Merge branch 'improved_python_interface' of https://github.com/rbberger/lammps…
f33447dad502
·Axel Kohlmeyer on Jul 18 2016, 22:08.
Updated README in python folder
a394d1b4362e
·Richard Berger on Jul 18 2016, 22:03.
fully restore steve's python formatting style
ffab7ebba579
·Axel Kohlmeyer on Jul 18 2016, 20:32.
Revert to 2 spaces for Steve
45204726d881
·Richard Berger on Jul 18 2016, 19:55.

Jul 16 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15326 f3b2605a-c512-4ea7…
80fce623ec65
·sjplimp on Jul 16 2016, 00:59.

Jul 14 2016

Updated ipython examples
7bc6d1cfd253
·Richard Berger on Jul 14 2016, 23:50.
Rename wrappers to PyLammps and IPyLammps
b232cc29dff7
·Richard Berger on Jul 14 2016, 23:49.
Add import for Py2 and Py3 compatibility
ed555b86ddf0
·Richard Berger on Jul 14 2016, 23:49.
Add bonds, angles, dihedrals and impropers information to Python wrapper
85d7e571e310
·Richard Berger on Jul 14 2016, 20:57.

Jun 28 2016

Update iPython interface usage example
ee0a8a9d37da
·Richard Berger on Jun 28 2016, 21:29.
Add support for atom style variable values
dbd3a4d78376
·Richard Berger on Jun 28 2016, 21:28.
Fix extraction of atom style variable
baa39e88a0ac
·Richard Berger on Jun 28 2016, 21:27.

Jun 8 2016

Merge remote-tracking branch 'upstream/lammps-icms' into…
f876973bcccb
·Richard Berger on Jun 8 2016, 20:26.

Jun 7 2016

Another Python3 compatibility fix
34bf28cce05c
·Martin Bauer on Jun 7 2016, 12:50.

May 31 2016

Fix data type of stored value
b68a2b91ab4b
·Richard Berger on May 31 2016, 21:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15087 f3b2605a-c512-4ea7…
194a51216854
·sjplimp on May 31 2016, 18:45.

May 26 2016

Added expanded example to showcase new interface usage
2a9581db807d
·Richard Berger on May 26 2016, 22:56.
Simplify access to system, comm, variable and atom data
e7262acc4626
·Richard Berger on May 26 2016, 22:52.
Added function to evaluate arbitrary expressions
171e1318781c
·Richard Berger on May 26 2016, 18:48.
Added easy way to access variable value
f4078ed7f763
·Richard Berger on May 26 2016, 17:50.
Add properties to Python LAMMPS wrapper to access info command data
8df11e192d02
·Richard Berger on May 26 2016, 03:01.

May 24 2016

Added iPython example and tutorial
03bde1b220bb
·Richard Berger on May 24 2016, 18:35.
First version of more compact Python wrapper for LAMMPS
1ccc918d36f9
·Richard Berger on May 24 2016, 18:35.
Reformat python interface
6193893f8983
·Richard Berger on May 24 2016, 17:54.

May 20 2016

make .gitignore python3 compatible
674da56554b9
·Axel Kohlmeyer on May 20 2016, 20:54.
Fix typo in lammps.py
19b9fef0b1cc
·Martin Bauer on May 20 2016, 13:33.

May 12 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15039 f3b2605a-c512-4ea7…
c3a95c782bd6
·sjplimp on May 12 2016, 15:53.

May 11 2016

Merge branch 'merge-pull-55' into lammps-icms. add python3 compatibility
2e01e2160e45
·Axel Kohlmeyer on May 11 2016, 15:11.
lammps.py: Python3 Compatibility
fb13d99fa3cd
·Martin Bauer on May 11 2016, 14:20.
Python install.py: Python3 Compatibility
1f7823d87a56
·Martin Bauer on May 11 2016, 14:20.

Feb 15 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14592 f3b2605a-c512-4ea7…
a70623ee430f
·sjplimp on Feb 15 2016, 16:30.

Feb 11 2016

update LAMMPS version automatically from source code
c81b3b2c1f93
·Axel Kohlmeyer on Feb 11 2016, 13:58.
load lammps shared object for directory in LD_LIBRARY_PATH, if not found in…
7183e000e738
·Axel Kohlmeyer on Feb 11 2016, 13:22.
change python module installer to try installing into user-site dir if global…
f5c2e4c8954d
·Axel Kohlmeyer on Feb 11 2016, 12:06.

Dec 10 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e7d896a45938
·Axel Kohlmeyer on Dec 10 2015, 12:29.

Dec 9 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14330 f3b2605a-c512-4ea7…
87a47d8b9956
·sjplimp on Dec 9 2015, 22:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14328 f3b2605a-c512-4ea7…
900a3aaf9d7b
·sjplimp on Dec 9 2015, 22:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14327 f3b2605a-c512-4ea7…
6eed163c7b2c
·sjplimp on Dec 9 2015, 22:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14326 f3b2605a-c512-4ea7…
e000e4a04f45
·sjplimp on Dec 9 2015, 22:09.

Dec 8 2015

update lammps python wrapper to support passing in a communicator from mpi4py
cacf29bc56e2
·Axel Kohlmeyer on Dec 8 2015, 02:59.

Nov 21 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14270 f3b2605a-c512-4ea7…
b10ae0abaf08
·sjplimp on Nov 21 2015, 01:35.

Nov 12 2015

fix stupid typo
328f0070fe42
·Axel Kohlmeyer on Nov 12 2015, 00:33.
correct memory leak and incorrect access to global vectors and arrays for fixes…
a7c5dfeefe91
·Axel Kohlmeyer on Nov 12 2015, 00:25.

Sep 2 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13986 f3b2605a-c512-4ea7…
ae980d6fd1f7
·sjplimp on Sep 2 2015, 22:41.

Sep 1 2015

expose numetical version id to library and python interface
233a9edfa848
·Axel Kohlmeyer on Sep 1 2015, 16:31.

Jul 10 2015

handle lammps python module instances with names correctly.
5e2ecf7ec3ce
·Axel Kohlmeyer on Jul 10 2015, 23:37.

Jul 3 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
0449d00dcade
·Axel Kohlmeyer on Jul 3 2015, 13:37.

Jul 2 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13511 f3b2605a-c512-4ea7…
79e142b2ca43
·sjplimp on Jul 2 2015, 21:09.

Jun 30 2015

simpler way to determine the source file location
d47d0de2b2bb
·Axel Kohlmeyer on Jun 30 2015, 05:12.

Jun 29 2015

find LAMMPS shared object location for ctypes loading from introspection
567d5a49cf2a
·Axel Kohlmeyer on Jun 29 2015, 21:02.

Mar 18 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
54233c58b148
·Axel Kohlmeyer on Mar 18 2015, 12:26.

Mar 17 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13236 f3b2605a-c512-4ea7…
fb2a894e03e3
·sjplimp on Mar 17 2015, 17:02.

Mar 14 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
65f4f1e938dc
·Axel Kohlmeyer on Mar 14 2015, 13:55.

Mar 13 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13233 f3b2605a-c512-4ea7…
6f706543febc
·sjplimp on Mar 13 2015, 23:06.

Jul 8 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1ed2f052c7dc
·Axel Kohlmeyer on Jul 8 2014, 15:03.

Jul 7 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12173 f3b2605a-c512-4ea7…
3b9563910ef8
·sjplimp on Jul 7 2014, 21:19.

Jun 8 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1ee7cb100d97
·Axel Kohlmeyer on Jun 8 2014, 01:29.

Jun 7 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12098 f3b2605a-c512-4ea7…
87d0ff963b49
·sjplimp on Jun 7 2014, 01:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12097 f3b2605a-c512-4ea7…
d5a534235500
·sjplimp on Jun 7 2014, 01:41.

Jan 18 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
46e8e6c12078
·Axel Kohlmeyer on Jan 18 2014, 17:52.

Jan 17 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11247 f3b2605a-c512-4ea7…
f4a776d4c3e0
·sjplimp on Jan 17 2014, 17:11.

Jun 10 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10064 f3b2605a-c512-4ea7…
44917aeac7c2
·sjplimp on Jun 10 2013, 17:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10063 f3b2605a-c512-4ea7…
d91cbdf9235e
·sjplimp on Jun 10 2013, 17:01.

Jun 9 2013

use more portable shebang line in python scripts
1f5dcb1ecf10
·Axel Kohlmeyer on Jun 9 2013, 19:57.

Mar 12 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
8a912603a5f0
·Axel Kohlmeyer on Mar 12 2013, 18:44.

Mar 11 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9641 f3b2605a-c512-4ea7…
3ba07ca1e613
·sjplimp on Mar 11 2013, 22:37.