GitLab

the barostats and andersen thermostat.

function call.

Reference platform.

the System. The System inspects all of its forces and calls
usePeriodicBoundaryConditions -- it reports 'true' if at least one of its Forces
returns 'true' for usesPeriodicBoundaryConditions.

The default Force implementation is to raise an exception (NotImplementedError).
The System implementation will return true if at least one of its Forces returns
'true' for usesPeriodicBoundaryConditions, _regardless_ of whether or not one or
more of the forces does not implement the method. If at least one of the forces
does not implement usesPeriodicBoundaryConditions and all forces return false,
an OpenMMException is thrown.

/usr/local/openmm/include/openmm/CustomHbondForce.h:477:25: warning: field 'p3' will be initialized after field 'parameters' [-Wreorder]
        p1(p1), p2(p2), p3(p3), parameters(parameters) {
                            ^
I believe that the initializer is supposed to assign variables in the same
order they're declared in the class definition (not the same order they're
defined in the constructor argument list.

Fix typo.

Fix small bug in `simtk.unit` related to mutable sequences.

Optimization to CPU PME

Fixed uninitialized memory in variable step size integrators

found in doctests.py (and quite a bit more, too)

are NOT numpy arrays.

Disable PME stream on old versions of cufft

Modified packaging scripts so that we no longer install Python into lib

Workaround for compiler bug in Visual Studio

Prevent running tests on unsupported CPUs

Updated instructions on running the test installation script

Conda testing