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Added DFTSpecification interface to PoreProfile.initialize#4

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JohannesEller wants to merge 3 commits into
feos-org:mainfrom
JohannesEller:isostere_interface
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Added DFTSpecification interface to PoreProfile.initialize#4
JohannesEller wants to merge 3 commits into
feos-org:mainfrom
JohannesEller:isostere_interface

Update isostere calculation; TODO: python interface

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