Description |
Usage |
Description of module |
  |
Actions
The following actions are part of this module
Name |
Description |
COLLECT_FRAMES |
Collect atomic positions or argument values from the trajectory for later analysis |
FARTHEST_POINT_SAMPLING |
Select a set of landmarks using farthest point sampling. |
LANDMARK_SELECT_FPS |
Select a of landmarks from a large set of configurations using farthest point sampling. |
LANDMARK_SELECT_RANDOM |
Select a random set of landmarks from a large set of configurations. |
LANDMARK_SELECT_STRIDE |
Select every ith frame from the stored set of configurations |
LOGSUMEXP |
This action takes the exponential of a vector of logarithms and divides each element of the vector by the sum of the exponentials. |