We should add the ability to resize the box to MD integration methods. We can use the barostat argument to do this:
- If
barostat is an Extent, resize the box immediately at the start of the run.
- If
barostat is a tuple(Extent, Extent), do linear interpolation between the two box sizes from the beginning to the end of the run.
We should add the ability to resize the box to MD integration methods. We can use the
barostatargument to do this:barostatis anExtent, resize the box immediately at the start of the run.barostatis atuple(Extent, Extent), do linear interpolation between the two box sizes from the beginning to the end of the run.