Comments (2)
I've settled on including the parameterisation for Peng et al., Kirkland and Lobato & Van Dyck.
I could also include the Weickenmeier & Kohl, but the projected potential is harder to calculate (I could use it for the 3D calculations, though this just adds complexity).
I've chosen these potentials as they are calculated for electrons, instead of derived from X-ray calculations.
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It might be possible to add a way to dynamically add parameterisations. However, this needs a way for the opencl kernels to know how to process the parameters into the potentials. This is not planned in the near future.
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Related Issues (20)
- Linux OpenGL destruction seg fault HOT 1
- GUI elements tab through in wrong order HOT 1
- Simulation doesnt include atoms in bottom left corner of padding area HOT 1
- STEM pixel scales are calculated incorrectly
- CIF reader fails on correct files
- Limit filesize of log HOT 2
- Creating structure from CIF can cause crashes
- Confirm close application when simulation is running
- Add better support for custom scattering factor parameterisation
- Add absorptive potentials
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- Request for 2 enhancements (Scripting and Inclusion of TEM incoherence parameters in .json file) HOT 4
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