Commit Graph

3 Commits

Author SHA1 Message Date
a7fce6dc39 add harmonic/cut to python example folder. small tweaks to docs and examples 2022-03-18 17:58:30 -04:00
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
1d48f287f0 add partial documentation for pair style python 2017-05-17 19:05:18 -04:00