GitLab

This patch creates a new build in the Travis-CI matrix that compiles and
runs the OpenCL tests using the CPU OpenCL device (AMD drivers). Because
not all of the tests can complete in the allotted 50 minutes, the ctest
invocation is changed to run them in a random order.

This also adds a new executable, TestOpenCLDeviceQuery, that prints
out information about all of the OpenCL devices on the system.

No GMX include directory in example

Fix thread synchronization in customCentroidBond.cl

Fix gradient of periodicdistance at 0

Added checks for nan coordinates in CUDA and OpenCL

Add code supporting input with and without units for CharmmPsfFile.

Add relevant tests (that used to fail). This also fixes a subtle bug where
switching functions were not applied when NBFIXes were specified.

Removed some unnecessary double precision

Add permissive flag to permit undefined atomtypes when reading charmm parameter files

Fixed a bug in AmoebaMultipoleForce

Replace JOM with NMake in Appveyor build

Hard wall constraints for DrudeLangevinIntegrator

Further improved energy accuracy in mixed precision mode

More optimizations to CPU platform

Fix units of returned dipoles and quadrupoles from AmoebaMultipoleForce.

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

Fix very irritating behavior on some Mac systems.