GitLab

Fixed bug in PME with triclinic boxes

Fix error check for GBneck parameters

this PR

This doesn't lead to incorrect results, but it does erroneously flag some radii
as being illegal when they aren't (making it impossible to run some suggested
systems).

The parameters need to be compared to the table limits *before* subtracting off
the offset, whereas it's currently being done after.

Fixed error using CMAP with GRO files on Python 3

CPU platform shares neighbor list between forces

Changing box vectors does not change positions

Unified names of platform properties

Optimized CPU implementation of CustomIntegrator

Improved minimization with strict constraint tolerance

Changed mechanism for setting barostat temperature

Periodic boundary conditions for AMOEBA bonded forces

Fixed error in Continuous3DFunction on CUDA and OpenCL