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Title: Implement SAFT-VR Mie equation of state by g-bauer · Pull Request #237 · feos-org/feos · GitHub

Open Graph Title: Implement SAFT-VR Mie equation of state by g-bauer · Pull Request #237 · feos-org/feos

X Title: Implement SAFT-VR Mie equation of state by g-bauer · Pull Request #237 · feos-org/feos

Description: rebase more tests docs changelog update readme parameters of original publication example notebook validate LJ + assoc plots check visibility changes in other crates Not covered in this PR...

Open Graph Description: rebase more tests docs changelog update readme parameters of original publication example notebook validate LJ + assoc plots check visibility changes in other crates Not covered in this PR...

X Description: rebase more tests docs changelog update readme parameters of original publication example notebook validate LJ + assoc plots check visibility changes in other crates Not covered in this PR...

Opengraph URL: https://github.com/feos-org/feos/pull/237

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Implement SAFT-VR Mie equation of state https://github.com/feos-org/feos/pull/237#top
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Apr 11, 2024https://github.com/feos-org/feos/pull/237#issue-2238067515
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April 12, 2024 15:34https://github.com/feos-org/feos/pull/237#commits-pushed-fe403db
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PC SAFT done. Checking bencheshttps://github.com/feos-org/feos/pull/237/commits/fe403db1747f8b327e30a487f33648ab253d3382
fe403dbhttps://github.com/feos-org/feos/pull/237/commits/fe403db1747f8b327e30a487f33648ab253d3382
https://github.com/g-bauer
Changes according to review, added SAFTVRQMiehttps://github.com/feos-org/feos/pull/237/commits/e98410a3018eda40944348420f284007c1612f36
e98410ahttps://github.com/feos-org/feos/pull/237/commits/e98410a3018eda40944348420f284007c1612f36
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adjust dfthttps://github.com/feos-org/feos/pull/237/commits/9b57213a843add16d56c2ec17baa784f07de310d
9b57213https://github.com/feos-org/feos/pull/237/commits/9b57213a843add16d56c2ec17baa784f07de310d
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Python fixeshttps://github.com/feos-org/feos/pull/237/commits/273f245939074e56716d13db15d1f65758ea2145
273f245https://github.com/feos-org/feos/pull/237/commits/273f245939074e56716d13db15d1f65758ea2145
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Add uvtheory to Cargo featurehttps://github.com/feos-org/feos/pull/237/commits/30236ed1ff3f613f4f7c9531832bd88a4c91a00b
30236edhttps://github.com/feos-org/feos/pull/237/commits/30236ed1ff3f613f4f7c9531832bd88a4c91a00b
https://github.com/g-bauer
Started impl of SAFT VR Miehttps://github.com/feos-org/feos/pull/237/commits/28050200bcccdd9c56c698e93878a9521efaed75
2805020https://github.com/feos-org/feos/pull/237/commits/28050200bcccdd9c56c698e93878a9521efaed75
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Working dispersion and chain. Association needs evaluation.https://github.com/feos-org/feos/pull/237/commits/5539f0e6419711bfd1c19361609e687aa9474e87
5539f0ehttps://github.com/feos-org/feos/pull/237/commits/5539f0e6419711bfd1c19361609e687aa9474e87
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Cleanup, removal of old fileshttps://github.com/feos-org/feos/pull/237/commits/9c3da57d273b96b45d410379403ac379d43c0349
9c3da57https://github.com/feos-org/feos/pull/237/commits/9c3da57d273b96b45d410379403ac379d43c0349
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Improved diameter calculationhttps://github.com/feos-org/feos/pull/237/commits/61c145a2ab830c8d95c7c7041c825c42825e5730
61c145ahttps://github.com/feos-org/feos/pull/237/commits/61c145a2ab830c8d95c7c7041c825c42825e5730
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Finished impl. Added test cases.https://github.com/feos-org/feos/pull/237/commits/0828d679144b5246b0aba3b9a116c2785085696b
0828d67https://github.com/feos-org/feos/pull/237/commits/0828d679144b5246b0aba3b9a116c2785085696b
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Silence warning of unused methodhttps://github.com/feos-org/feos/pull/237/commits/3c71bbaa8b5c0e1dc63b77774d6713193b422b5c
3c71bbahttps://github.com/feos-org/feos/pull/237/commits/3c71bbaa8b5c0e1dc63b77774d6713193b422b5c
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Fixed bug from rebasinghttps://github.com/feos-org/feos/pull/237/commits/7fd1fcf250bbd525dbb2b90e7b1f388746b96ded
7fd1fcfhttps://github.com/feos-org/feos/pull/237/commits/7fd1fcf250bbd525dbb2b90e7b1f388746b96ded
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April 12, 2024 13:59https://github.com/feos-org/feos/pull/237#event-12449966863
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Fixed benchmarkhttps://github.com/feos-org/feos/pull/237/commits/ab5b87a077b52b95fd75b107c8bc9e772507a6fa
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Updated Readmehttps://github.com/feos-org/feos/pull/237/commits/9a22b5b669116eb0dfa85d89b1c05c7ef139cd68
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Updated changeloghttps://github.com/feos-org/feos/pull/237/commits/317c48e6141b22d7f4632ca3f5c421c914e51188
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Added parameters of Lafitte et al 2013, readme and bib filehttps://github.com/feos-org/feos/pull/237/commits/7f6fff7c0f885539ad7cb4329e5b92060b122aab
7f6fff7https://github.com/feos-org/feos/pull/237/commits/7f6fff7c0f885539ad7cb4329e5b92060b122aab
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Fixed integration testhttps://github.com/feos-org/feos/pull/237/commits/658aec4eb35534e402b67e656ac6b9282bb3f9c3
658aec4https://github.com/feos-org/feos/pull/237/commits/658aec4eb35534e402b67e656ac6b9282bb3f9c3
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Added example notebook with validation of implementationhttps://github.com/feos-org/feos/pull/237/commits/d5aec3d8f39d311e173829baad0b7440425b7052
d5aec3dhttps://github.com/feos-org/feos/pull/237/commits/d5aec3d8f39d311e173829baad0b7440425b7052
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Added docshttps://github.com/feos-org/feos/pull/237/commits/b8be814f047f4b392ebbf5c65814a707a2bba577
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Changed visibility in core and dft. Fixed bug in benches.https://github.com/feos-org/feos/pull/237/commits/681b3416634fbc920ea2fe54b655eecde6866bbc
681b341https://github.com/feos-org/feos/pull/237/commits/681b3416634fbc920ea2fe54b655eecde6866bbc
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Added section for association term in documentationhttps://github.com/feos-org/feos/pull/237/commits/47a0c37e1486047e9aea3965c7ce9a702fc74ab6
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Added more examples to notebookhttps://github.com/feos-org/feos/pull/237/commits/bb2fe9fdfdbff7f6522e53b0572ab70bb602b743
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April 15, 2024 21:55https://github.com/feos-org/feos/pull/237#event-12478172596
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removed unused method from hard sphere module, added tests to CI, mov…https://github.com/feos-org/feos/pull/237/commits/d8c03332f8dd46497c80bc03a254737644860d42
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