GitLab

Ensure neighbor list is large enough on first step

Assorted windows / appveyor fixes. Mostly cosmetic.

Clean up

Fix OpenCL platform on low-end devices

Close file before deleting in TestAmberPrmtopFile.py

Close PDBx file before deleting to fix windows test failure in TestPDbxFile.py

Fix test checkpoint reporter close file before repoening

Add bytes typemap

Update appveyor.yml

Fix exit status

Supress 4305 and 4244 warnings

Print the last failed tests output

Make numpy optional in test

Improve scipy skip too

Refactor TestCheckpointReporter.py to not require numpy

test on the proper file

Remove annoying -V

Add bytes typemap

Fix three tests on windows

Fix OpenCL platform on low-end devices

Eliminate extra warning about overriding the warning level

Show fewer warnings on Visual Studio

Fix two tests for python3

Add appveyor.yml

Attempt at fixing a race condition in CPU PME

Add PDBxReporter class

(part of the long-term plan of supporting Python 2 and 3 in the same code base
without 2to3)

Fixed errors executing force field scripts on Python 3

Minor improvements to loading PDBx files