GitLab

cubic/quartic/pentic/etc. terms are NOT working for some reason.

expansion coefficients.

docstring says it should be (kJ/nm^2) -- the swig input generator had the
inverse.

Adds a test case for the AmoebaGeneralizedKirkwoodForce API.

angles are in degrees (unlike *every* other angle force out there), and
stripUnits automatically reduces all angles to radians if they come in with
units.

The approach here is to *slightly* change the API, so that
AmoebaAngleForce.addAngle interprets input angles <2*pi as radians, and >2*pi as
degrees. This is heuristic, but should work in every case out in the wild so
far.

I've also updated the documentation to reflect this behavior, and fixed the
units attached to the return value of AmoebaAngleForce.getAngleParameters() to
return degrees instead of radians.

AmoebaBondForce.

See swig/swig#387 for a discussion.  It would actually be nice to *not* set the
"compactdefaultargs" feature globally, since that would allow us to actually see
the real API at the Python level the same as you would see by looking at the C++
header files. But this is the only way to support both SWIG 2 and SWIG 3 easily
and avoid a lot of retooling for the SWIG input code generator.