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

..

data.spce

adding Pair::single() support to python pair style and examples

2017-05-17 17:20:56 -04:00

funcs.py

Add Python 3 compatibility to PYTHON package

2017-04-11 20:24:42 -04:00

in.fix_python

Allow fix python to only execute every N steps

2017-05-12 00:29:58 -04:00

in.pair_python_coulomb

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

in.pair_python_hybrid

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

in.pair_python_melt

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

in.pair_python_spce

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

in.pair_python_table

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

in.python

Add Python 3 compatibility to PYTHON package

2017-04-11 20:24:42 -04:00

log.4May17.pair_python_coulomb.1

adding Pair::single() support to python pair style and examples

2017-05-17 17:20:56 -04:00

log.4May17.pair_python_coulomb.g++.1

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

log.4May17.pair_python_coulomb.g++.4

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

log.4May17.pair_python_hybrid.g++.1

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

log.4May17.pair_python_hybrid.g++.4

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

log.4May17.pair_python_melt.g++.1

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

log.4May17.pair_python_melt.g++.4

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

log.4May17.pair_python_spce.g++.1

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

log.4May17.pair_python_spce.g++.4

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

log.4May17.pair_python_table.g++.1

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

log.4May17.pair_python_table.g++.4

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00

log.5Oct16.python.g++.1

clean up doc src

2016-10-06 13:00:46 -06:00

log.5Oct16.python.g++.4

clean up doc src

2016-10-06 13:00:46 -06:00

py_pot.py

a bunch refactoring changes in the python pair style and the examples

2017-05-17 20:55:48 -04:00