15 Commits

Author	SHA1	Message	Date
Axel Kohlmeyer	13e16dc3f1	update log files for pair style python examples	2017-05-17 07:52:13 -04:00
Axel Kohlmeyer	96f0a82aa5	simplify class names in pair style python examples. add SPC/E water example	2017-05-17 07:48:15 -04:00
Richard Berger	7caf6cf459	Change how a Python pair style is loaded ... Implements a class loader which takes a fully qualified Python class name, loads the module and creates an object instance. To add flexibility, the current working directory and the directory specified by the LAMMPS_POTENTIALS environment variable are added to the module search path.	2017-05-16 23:29:48 -04:00
Richard Berger	14f3deed6b	Minor coefficient lookup improvement	2017-05-15 18:43:46 -04:00
Richard Berger	93cc6f4a5d	Use in syntax for key lookup for Python 3 compatibility	2017-05-15 17:34:48 -04:00
Axel Kohlmeyer	6a1f7e61f2	provide reference output for python pair style inputs	2017-05-15 00:25:11 -04:00
Axel Kohlmeyer	df55a90ef6	some example input file tweaks	2017-05-15 00:22:03 -04:00
Axel Kohlmeyer	f484ab6dfb	completed lj parameter set and compute functions for melt example	2017-05-15 00:14:36 -04:00
Axel Kohlmeyer	86283c6309	make melt input consistent with melt example again	2017-05-15 00:13:32 -04:00
Axel Kohlmeyer	34cc3946b8	first few pieces of pair style python	2017-05-14 18:29:06 -04:00
Richard Berger	c4d0f07093	Allow fix python to only execute every N steps	2017-05-12 00:29:58 -04:00
Richard Berger	110bb79b14	Implement fix python mentioned in issue #454 ... Allows to call a python function at defined points in the integration loop	2017-05-11 23:50:30 -04:00
Richard Berger	9a027a01da	Add Python 3 compatibility to PYTHON package	2017-04-11 20:24:42 -04:00
Steve Plimpton	493873fb93	clean up doc src	2016-10-06 13:00:46 -06:00
sjplimp	03662ee700	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13238 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2015-03-17 16:06:01 +00:00