GitLab

Now that I have my head on straight, that is.

Fix very irritating behavior on some Mac systems.

Don't try to build tests if BUILD_TESTING is off

Hard-code CC and CXX to clang for Macs, since gcc/g++ will *not* work with
Anaconda, despite the fact that distutils will try to use them.  System Python,
homebrew, and MacPorts on Macs will always use clang, so this hack should always
work and fix issues with users that have GCC installed from MacPorts or homebrew
*and* Anaconda.

Add a set of unit tests for unit handling in the core API.

and DrudeLangevinIntegrator.

and VariableLangevinIntegrator

right).  Add a test for AmoebaMultipoleForce.

- Remove API change for AmoebaAngleForce so it goes back to only taking degrees.
  Handle conversion via a pythonprepend (since stripUnits is done in C++ now).
- Do the same thing for TorsionTorsionForce, since angles are in degrees again
- Add AmoebaVdwForce and AmoebaWcaForce tests

work for the input variable type.

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.

Turns out CustomManyParticleForce is broken when adding per-particle parameters
with units.

Fixed a failing test case under Visual Studio

Further optimizations to CPU platform

Further optimizations to CPU platform

Optimizations to CPU platform

Updated version number to 7.0

Added default values for some arguments

Fixed compilation error on Windows