GitLab

Fix Python 3 support in unit package.

to precision)

Fixed compilation errors on Visual Studio 2013

Compiling on Windows

A large number of unit cleanups and fix numpy wart

numpy.

Fixed a bug in runForClockTime()

This should be *lower* than that of Unit (and ScaledUnit/BaseUnit), since we
still want Units to take priority over Quantities (but Quantity to take
precedence over regular ndarrays) for reasons like this:

>>> a = np.array([1]) * u.angstroms
>>> b = a * u.angstroms # should be np.array([1])*u.angstroms**2
>>> np.arange(10) * a # utilize broadcasting
[1 2 3 4 5 6 7 8 9 10] A**2

The main thing that's done here is that numpy arrays can be given units via the
* operator, rather than relying on the Quantity constructor

e.g.,

>>> import numpy as np
>>> np.zeros(10) * u.angstroms
Quantity(value=array([ 0.,  0.,  0.,  0.,  0.,  0.,  0.,  0.,  0.,  0.]), unit=angstrom)

yay!

Add travis build matrix for static and dynamic builds

Updates to documentation for 6.3

[WIP] Removed code that disabled OpenCL on OS X packaging.

Add check for null context inside integrator.step()

Fixed a compiler warning

Fixed a compilation error on some compilers

Update packaging devtools scripts for CUDA 7.0 on linux

Make sure RBTorsion parameters are returned with the correct units.

Minor enhancements to Topology