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Added DFTSpecification interface to PoreProfile.initialize#4

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JohannesEller:isostere_interface

Commits on Nov 13, 2021

Added DFTSpecification interface to PoreProfile.initialize; started implementation of isostere calculation
Johannes Eller
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Added isostere calculation
Johannes Eller
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Commits on Nov 28, 2021

Update isostere calculation; TODO: python interface
Johannes Eller
committed