Skip to content

Added jitter option to ProfilePlanarBase

Simon Gravelle requested to merge (removed):jitter-density into main

Added a jitter option to the density profile calculation, related to issue #96 (closed).

Added a function named detect_trajectory_resolution to util.py.

Added tests.

PR Checklist

  • Docs?
  • Issue raised/referenced?

Example of the effect of using or not jitter on a large trajectory of TIP4P water model in a 4 nm pore:

image

Edited by Simon Gravelle

Merge request reports