Skip to content

Multiple small changes (mainly related to exit waves)

Jakob Schiøtz requested to merge schiotz/NeuralNetwork_HRTEM:atomic-displacements into master

This is a combined merge request of several small things that should probably have been separate requests.

  • Rescale exit wave for ground truth using abTEM instead of doing it manually, preventing a one-pixel-off error.
  • Optional additional distortion of the 2D structures (random displacement of atoms). This did not end up being used.
  • Fix make_from_database.py (for C2DB structures) so it actually runs.
  • Reject 2D materials with too large unit cells.
  • Change default sampling of wave function from 0.1 Å to 0.05Å, and increase the size of the array.
  • Add possibility of not using all images in each epoch (for learning curves).
  • Change some variable names in train_imageepochs.py as I had a hard time figuring out what was what.
  • Use data in parameters.json to determine number of files to load instead of loading them all (more robust, and allows for data limitation).
  • Add validate_histogram.py script storing validation data in .npz files for later use in histograms etc. Also special version of the script for using limited amount of data for learning curves.

Merge request reports