Accessible Surface Area calculations#4417

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JureCerar wants to merge 22 commits intoMDAnalysis:developfrom JureCerar:sasa

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Commits on Jan 8, 2024

Added as author
JureCerar
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Added to changelog
JureCerar
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Added 'documentation'
JureCerar
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Implementation of SASA/RSASA calculation with Shrake-Rupley algorithm.
JureCerar
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Renamed functions
JureCerar
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Added tests
JureCerar
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Added relevant references
JureCerar
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Minor fixes
JureCerar
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Fixed line length issue
JureCerar
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Fixed pi issue
JureCerar
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Fixed line length issue
JureCerar
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Fixed type in docs
JureCerar
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Merge branch 'develop' into sasa
JureCerar
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Fixed bug with dictionary
JureCerar
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Added tests for errors and warnings
JureCerar
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Commits on Jan 9, 2024

Merge branch 'sasa' of https://github.com/JureCerar/mdanalysis into sasa
JureCerar
committed

Commits on Jan 15, 2024

Merge branch 'MDAnalysis:develop' into sasa
JureCerar
authored

Commits on Jan 17, 2024

Fixed PEP8 spaces issue
JureCerar
committed