python
lammm-devel59db5f6a1782b0cacdb28a3…

May 18 2017

update example outputs
0208fe9996be
·Axel Kohlmeyer on May 18 2017, 06:46.
add readme file to discuss various python pair style usage examples
8d46aa605606
·Axel Kohlmeyer on May 18 2017, 06:31.
new long-rance example with using hybrid/overlay and table only for lj part
09f3b687f7d7
·Axel Kohlmeyer on May 18 2017, 06:31.
make hybrid example use half the atoms with python, half with lj/cut
436d3fd76188
·Axel Kohlmeyer on May 18 2017, 06:30.
change coulomb example to use cutoff coulomb
9833f38499a0
·Axel Kohlmeyer on May 18 2017, 06:30.
a bunch refactoring changes in the python pair style and the examples
67962b15fc07
·Axel Kohlmeyer on May 18 2017, 02:55.
add partial documentation for pair style python
1d48f287f00a
·Axel Kohlmeyer on May 18 2017, 01:05.

adding Pair::single() support to python pair style and examples
43efe9e417ee
·Axel Kohlmeyer on May 17 2017, 23:20.
update log files in python pair style example
a34c935e207b
·Axel Kohlmeyer on May 17 2017, 14:00.
update log files for pair style python examples
13e16dc3f14a
·Axel Kohlmeyer on May 17 2017, 13:52.
simplify class names in pair style python examples. add SPC/E water example
96f0a82aa5ad
·Axel Kohlmeyer on May 17 2017, 13:48.
Change how a Python pair style is loaded
7caf6cf459d3
·Richard Berger on May 17 2017, 05:29.

Minor coefficient lookup improvement
14f3deed6b83
·Richard Berger on May 16 2017, 00:43.

Use in syntax for key lookup for Python 3 compatibility
93cc6f4a5def
·Richard Berger on May 15 2017, 23:34.
provide reference output for python pair style inputs
6a1f7e61f2af
·Axel Kohlmeyer on May 15 2017, 06:25.
some example input file tweaks
df55a90ef666
·Axel Kohlmeyer on May 15 2017, 06:22.
completed lj parameter set and compute functions for melt example
f484ab6dfb9c
·Axel Kohlmeyer on May 15 2017, 06:14.
make melt input consistent with melt example again
86283c6309ad
·Axel Kohlmeyer on May 15 2017, 06:13.
first few pieces of pair style python
34cc3946b8d9
·Axel Kohlmeyer on May 15 2017, 00:29.

Allow fix python to only execute every N steps
c4d0f0709331
·Richard Berger on May 12 2017, 06:29.
Implement fix python mentioned in issue #454
110bb79b14cc
·Richard Berger on May 12 2017, 05:50.

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