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Added DFTSpecification interface to PoreProfile.initialize#4

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

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Implementation of isostere calculation

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