GitLab

bugfix on the ansiotropic polarizability for Drude force field

Fixed compilation error in double precision mode

Fixed error in computing global variables

Parallelized the code for downloading positions

Fixed a rare segfault in CPU platform

Hopefully improve the docstring so the generated docs will improve

See http://docs.openmm.org/development/api-python/generated/simtk.openmm.mtsintegrator.MTSIntegrator.html#
for the rendered results that are less than ideal.

Marked usesPeriodicBoundaryConditions() as const

Create alternative constructor for Simulation from XML files

Compare 1-4 scaling factors by looking at size of difference

Updated the user guide to clarify how to save simulations results

different platforms and OpenMM versions, while Checkpoint files can not
be exchanged between platforms or versions of Openmm.

Also changes a bunch of old-style Python classes to new-style (Py3 only has the
latter)

factors.

Install typemaps.i for use by plugins

Fix calling createSystem with unitless hydrogenMass

Improper torsions without wildcards override ones with

Updated documentation on installing to discuss conda

Add a method for retrieving list of matching templates to ForceField