GitLab

getState enforcePeriodicBox with triclinic unit cells

[CMake] Fix OSX build

Add OS X and CUDA builds to Travis-CI config

[CMake] set CMAKE_OSX_SYSROOT

Fix force group 31

For the CUDA build, the CUDA platform is compiled, but the
tests are not run (no GPU). For OS X, the OpenCL platform
is also compiled, but not tested (we skip Apple CPU OpenCL).

Enable testing of OpenCL platform on Travis-CI

Fixed some test failures on OpenCL with CPU device

Check for index validity when setting interaction groups

[WIP] Per-atom parameters can be taken from residue templates

Reinstate fast copy methods

Fix segfault in swig wrappers

Modify Context.getState to accept a set of indices or bitmask

Ensure context can be created when selecting CUDA device

Fixed test failures on OpenCL CPU device

Minor optimizations to CPU neighbor list

New advanced options OPENMM_BUILD_CPU_TESTS, OPENMM_BUILD_SERIALIZATION_TESTS,
OPENMM_BUILD_REFERENCE_TESTS were added to the cmake configuration and disabled
in the OpenCL test matrix element to increase speed. Redundant or unnecessary
apt packages removed from the travis installation.

Added getNumAtoms, getNumResidues, getNumChains to simtk.openmm.app.Topology