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Current issue: creating a graph representation of a supercell is too time-intensive. First see whether surface-planing is still necessary, then try different approaches.
Significantly reworked, heavily refactored, new Termination class
…s/find_terminations_3_1_1.py just moving
All that is left is to fix the planing operation (the one from 3.1.1 still works), speed up the planing operation (getting molecule graphs takes too long), and finish annotating.
Integrated Terminator into BaseSurfaceGenerator
SurfaceGenerator-integrable Terminator and associated classes. Incompletely commentated.
Forgot to include SurfaceVoxels
import update
Accounted for non-molecular crystals, cleaned up a bit
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Current issue: creating a graph representation of a supercell is too time-intensive. First see whether surface-planing is still necessary, then try different approaches.