4 Commits

Author	SHA1	Message	Date
Axel Kohlmeyer	0208fe9996	update example outputs	2017-05-18 00:46:49 -04:00
Axel Kohlmeyer	67962b15fc	a bunch refactoring changes in the python pair style and the examples ... - make all python potential classes derived from LAMMPSPairPotential which contains shared functionality. We currently don't check for supported atom types. may want to add that again later. - keep track of skipped atom types in the C++ code. - add test against units setting. must set self.units='...' in constructor - make compute_force method consistent with Pair::single() in LAMMPS and return force/r instead of force. - rename potentials.py to py_pot.py - update test runs. some small tweaks.	2017-05-17 20:55:48 -04:00
Axel Kohlmeyer	a34c935e20	update log files in python pair style example	2017-05-17 08:00:21 -04:00
Axel Kohlmeyer	13e16dc3f1	update log files for pair style python examples	2017-05-17 07:52:13 -04:00