Changes introduced in Prismatic version 2.0

  • Simulation capabilities for HRTEM imaging modes.
  • 3D potential parameterization with subpixel shifting for higher quality projected potential calculations.
  • A new S-matrix refocusing algorithm for improving accuracy of PRISM simulations with large defocus.
  • Support for simulation series, such as defocus series.
  • Improved IO support, including projected potential and S-matrix importing and exporting, and saving of the input probe.
  • Support for calculating arbitrary scan patterns.
  • Support for including arbitrary sets of aberrations in the imaging wavefunction.
  • A postprocessing module and update to pyprismatic.
  • Inclusion of soft-probe aperture for improved aliasing behavior for PRISM simulations.
  • Updated potential parameterization coefficients to those tabulated in 3rd ed. of Kirland’s Advanced Computing in Electron Microscopy.
  • An updated GUI.
  • Docker containers for easy, ready-to-use deployment of CLI and pyprismatic installations.
  • Internal unit testing for accelerated development of new features.
  • Improved 4D output performance.
  • Overhauled internal IO interface.
  • Other miscellaneous bug fixing and internal refactoring.

Changes introduced in Prismatic version 1.2

  • Fixed a bug where the same random seed could be passed to multiple CPU threads, leading to duplicated atomic shifts in potential slices.
  • Added ability to output the simulation at multiple thicknesses / unit cell tiling repeats.
  • Probe step size (sampling) can now be automatically used.
  • Added support for HDF5 file saving.
  • Added center-of-mass DPC outputs.
  • Added the ability to pre-specify a detector range.
  • Images are now saved in .png format.
  • Many, many optimizations for cmake compiling . . .
  • pyprismatic updated!