lammps/python
master39ededd46cf7f4621fd584a…

Sep 5 2017

Add way of getting correct ctypes integer type for bigint, tagint, and imageint
0b5a2e199ddb
·Richard Berger on Sep 5 2017, 02:01.
Correct indentation
09bb687918e6
·Richard Berger on Sep 5 2017, 02:01.
Added optional numpy access to atom data
bb3ee752e5e9
·Richard Berger on Sep 5 2017, 01:59.

Remove Make.py reference in PyLammps examples
d3169eeab3e7
·Richard Berger on Jul 31 2017, 21:56.
Fix PyLammps regression after output.cpp change
71553cf7328e
·Richard Berger on Jul 31 2017, 21:53.

Add Python 3 compatibility to PYTHON package
9a027a01daf8
·Richard Berger on Apr 12 2017, 02:24.

Added Python matplotlib plot example
cda821389250
·Richard Berger on Mar 16 2017, 06:41.
Improve Python 3 compatibility of pizza tools and simplify read_snapshot code
ef940d226c33
·Richard Berger on Mar 16 2017, 06:38.
Fix dump cfg in vizplotgui_atomeye.py example
36da9223ec43
·Richard Berger on Mar 16 2017, 03:55.
Fix space/tab error in pizza/gl.py
eb29ef32b1b9
·Richard Berger on Mar 16 2017, 03:43.
Fix dump cfg in viz_atomeye.py example
29550d472d23
·Richard Berger on Mar 16 2017, 03:31.
Document property 'uses_exceptions' of Python interface
79cae51156ad
·Richard Berger on Mar 16 2017, 03:20.
Fixes lammps_create_atoms library function and its Python interface variant
a210867025e1
·Richard Berger on Mar 16 2017, 03:13.
Fix Python 3 compatibility by encoding strings passed as c_char_p
0262a54ecfeb
·Richard Berger on Mar 16 2017, 03:00.

Fix typo in python README
359af419a7ab
·Richard Berger on Mar 7 2017, 06:58.
Fix more typos in examples
d6800405a518
·Richard Berger on Mar 7 2017, 06:57.

Spelling fixes in source files
e261bef7bba7
·Richard Berger on Mar 6 2017, 00:30.

Created PyLammps documentation
2383c31f1565
·Richard Berger on Nov 19 2016, 07:58.

new fix halt command, other sundry small bug fixes
2106dce2b382
·Steve Plimpton on Oct 18 2016, 21:11.

Fix code path which allows passing a C++ ptr to PyLammps
e2caf5c10577
·Richard Berger on Oct 4 2016, 19:57.
Revert type checking commit from July
91be47a0d084
·Richard Berger on Oct 4 2016, 17:43.

Updated instructions in IPython notebooks
d3406df6a0ca
·Richard Berger on Sep 21 2016, 18:07.
Strip IPython notebooks of output
a4c8c9b1f973
·Richard Berger on Sep 21 2016, 17:35.
Remove old copies of IPython notebooks
f1183cb97c19
·Richard Berger on Sep 21 2016, 17:28.

Allow detection of MPI_Abort condition in library call
76d876f86165
·Richard Berger on Sep 16 2016, 04:11.

Update ipython example to show interface usage
5cdc48dd0c24
·Richard Berger on Sep 14 2016, 22:26.
Make thermo output accessable through PyLammps
0ec8fa02e09e
·Richard Berger on Sep 14 2016, 22:14.
Allow writing input script from Python session
6e3705f3809d
·Richard Berger on Sep 14 2016, 20:24.

Add utility function to IPyLammps for embedding videos
6cbdad7a97a7
·Richard Berger on Aug 30 2016, 17:34.
Add verbose option in PyLammps methods
a08cf7a4b6a0
·Richard Berger on Aug 30 2016, 17:34.
Allow setting the position of atoms
691de01b3383
·Richard Berger on Aug 30 2016, 17:34.
Return 2D vectors in 2D cases
33a87a470a2b
·Richard Berger on Aug 30 2016, 17:34.
Fix resource leak
59dc83eadbde
·Richard Berger on Aug 30 2016, 17:34.