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Title: Added DFTSpecification interface to PoreProfile.initialize by JohannesEller · Pull Request #4 · feos-org/feos-dft · GitHub

Open Graph Title: Added DFTSpecification interface to PoreProfile.initialize by JohannesEller · Pull Request #4 · feos-org/feos-dft

X Title: Added DFTSpecification interface to PoreProfile.initialize by JohannesEller · Pull Request #4 · feos-org/feos-dft

Description: Generic classical DFT implementations for the `feos` project. - Added DFTSpecification interface to PoreProfile.initialize by JohannesEller · Pull Request #4 · feos-org/feos-dft

Open Graph Description: Implementation of isostere calculation

X Description: Implementation of isostere calculation

Opengraph URL: https://github.com/feos-org/feos-dft/pull/4

X: @github

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Added DFTSpecification interface to PoreProfile.initializehttps://patch-diff.githubusercontent.com/feos-org/feos-dft/pull/4/commits#top
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Added DFTSpecification interface to PoreProfile.initialize; started implementation of isostere calculationhttps://patch-diff.githubusercontent.com/feos-org/feos-dft/pull/4/commits/9ebee6e91dd9c693f23a083600415759628c81f7
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https://patch-diff.githubusercontent.com/feos-org/feos-dft/tree/9ebee6e91dd9c693f23a083600415759628c81f7
Added isostere calculationhttps://patch-diff.githubusercontent.com/feos-org/feos-dft/pull/4/commits/7af3607bbc5157eae856c0ac8131afc9450bfe51
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https://patch-diff.githubusercontent.com/feos-org/feos-dft/tree/7af3607bbc5157eae856c0ac8131afc9450bfe51
Update isostere calculation; TODO: python interfacehttps://patch-diff.githubusercontent.com/feos-org/feos-dft/pull/4/commits/cd9559ee2a63a88049de75d5da178ebde13a961a
cd9559ehttps://patch-diff.githubusercontent.com/feos-org/feos-dft/pull/4/commits/cd9559ee2a63a88049de75d5da178ebde13a961a
https://patch-diff.githubusercontent.com/feos-org/feos-dft/tree/cd9559ee2a63a88049de75d5da178ebde13a961a
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