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Title: Parallel evaluation of properties for fits/training by prehner · Pull Request #289 · feos-org/feos · GitHub

Open Graph Title: Parallel evaluation of properties for fits/training by prehner · Pull Request #289 · feos-org/feos

X Title: Parallel evaluation of properties for fits/training by prehner · Pull Request #289 · feos-org/feos

Description: example fit_params = ["m", "sigma", "epsilon_k"] parameters = np.array([[1.5,3.4,230.,2.3]]*5) temperature = np.expand_dims(np.linspace(250., 400.0, 5),1) Estimator.vapor_pressure(Model.PcSaftNonAs...

Open Graph Description: example fit_params = ["m", "sigma", "epsilon_k"] parameters = np.array([[1.5,3.4,230.,2.3]]*5) temperature = np.expand_dims(np.linspace(250., 400.0, 5),1) Estimator.va...

X Description: example fit_params = ["m", "sigma", "epsilon_k"] parameters = np.array([[1.5,3.4,230.,2.3]]*5) temperature = np.expand_dims(np.linspace(250., 4...

Opengraph URL: https://github.com/feos-org/feos/pull/289

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og:image:altexample fit_params = ["m", "sigma", "epsilon_k"] parameters = np.array([[1.5,3.4,230.,2.3]]*5) temperature = np.expand_dims(np.linspace(250., 400.0, 5),1) Estimator.va...
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July 17, 2025 16:49https://github.com/feos-org/feos/pull/289#event-18684184837
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prehnerhttps://github.com/prehner
August 18, 2025 10:57https://github.com/feos-org/feos/pull/289#event-19201201753
https://github.com/prehner
prehnerhttps://github.com/prehner
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August 18, 2025 13:19https://github.com/feos-org/feos/pull/289#event-19203655109
prehnerhttps://github.com/prehner
September 12, 2025 21:16https://github.com/feos-org/feos/pull/289#commits-pushed-70c3e74
https://github.com/prehner
Merge feos-ad functionalities into feoshttps://github.com/feos-org/feos/pull/289/commits/70c3e7474177e875505e482a4ed193c7ecea2642
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use first_derivative from quantity for virial coefficientshttps://github.com/feos-org/feos/pull/289/commits/9ab473ae09dc8314813711b838de6a507fd29454
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Minor optimizations for the ideal gas modelshttps://github.com/feos-org/feos/pull/289/commits/3be6e39032f58f6050663adeaaa228c3347558a0
3be6e39https://github.com/feos-org/feos/pull/289/commits/3be6e39032f58f6050663adeaaa228c3347558a0
https://github.com/prehner
Fix robustness issue in vle_pure_t and revive Estimator interface wit…https://github.com/feos-org/feos/pull/289/commits/afaced3e32fe513bcd87fb18b362284782646a1d
afaced3https://github.com/feos-org/feos/pull/289/commits/afaced3e32fe513bcd87fb18b362284782646a1d
https://github.com/prehner
fix importhttps://github.com/feos-org/feos/pull/289/commits/58a038f36c90e6d4a86a886c41703c91e2ed5c47
58a038fhttps://github.com/feos-org/feos/pull/289/commits/58a038f36c90e6d4a86a886c41703c91e2ed5c47
https://github.com/prehner
fix Cargo.tomlhttps://github.com/feos-org/feos/pull/289/commits/f0fb586d9e3e66b70b25d5fa34d14e4baeb714dd
f0fb586https://github.com/feos-org/feos/pull/289/commits/f0fb586d9e3e66b70b25d5fa34d14e4baeb714dd
https://github.com/prehner
moved GcPcSaftAD and therefore concluded the feos-ad integrationhttps://github.com/feos-org/feos/pull/289/commits/8e9757aeff7bf4db1d521418e0ffff3b4c91403d
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update workflowhttps://github.com/feos-org/feos/pull/289/commits/25c789e6a6655a3cc4ec262e84b3aed6c2725fb2
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fix python for gc_pcsafthttps://github.com/feos-org/feos/pull/289/commits/81fc7f86ee91e27029d8f99d111ab1857dceae98
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fixed for gc-pcsafthttps://github.com/feos-org/feos/pull/289/commits/66406014ff0064bfb2b2497ce8da31d01f21d485
6640601https://github.com/feos-org/feos/pull/289/commits/66406014ff0064bfb2b2497ce8da31d01f21d485
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newest lintshttps://github.com/feos-org/feos/pull/289/commits/982f421795605d0e63db4cba0a5f014160f7386e
982f421https://github.com/feos-org/feos/pull/289/commits/982f421795605d0e63db4cba0a5f014160f7386e
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use derivatives with units for state propertieshttps://github.com/feos-org/feos/pull/289/commits/ba7d6ec80cd624e0484f703ab50a415e1563ea79
ba7d6echttps://github.com/feos-org/feos/pull/289/commits/ba7d6ec80cd624e0484f703ab50a415e1563ea79
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remove nshare dependencyhttps://github.com/feos-org/feos/pull/289/commits/6112b2ac90cbaa18559754288ca02ace2aa22614
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fix dft for PC-SAFThttps://github.com/feos-org/feos/pull/289/commits/3dd4d15cdb63b68013c12d85fd0c9430b7494b6c
3dd4d15https://github.com/feos-org/feos/pull/289/commits/3dd4d15cdb63b68013c12d85fd0c9430b7494b6c
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Updated SAFT-VR Mie modelhttps://github.com/feos-org/feos/pull/289/commits/71eb3ac7122caffdc31a963369cb490fca4208da
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Updated PeTShttps://github.com/feos-org/feos/pull/289/commits/15ff86ee6fe404f64f5129dd66b11b27258d2172
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fix testhttps://github.com/feos-org/feos/pull/289/commits/23b934826dcdf8535841c3051993005c5ab0d0c2
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finalized adaption of PC-SAFT familyhttps://github.com/feos-org/feos/pull/289/commits/2826fa434f3d90c1985aef879770980a966cab07
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python bindings for the libraries that are already updatedhttps://github.com/feos-org/feos/pull/289/commits/9cfafbc41c310e6c0265daccac385e3090b9e60d
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make ndarray optional (a bit of a mess in the polar terms though :/)https://github.com/feos-org/feos/pull/289/commits/f80b34e478570d604e785e8418603a947966b0e8
f80b34ehttps://github.com/feos-org/feos/pull/289/commits/f80b34e478570d604e785e8418603a947966b0e8
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fix dfthttps://github.com/feos-org/feos/pull/289/commits/38147a92882803a49ad9d3be2823e94b22770235
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fix sign in hc termhttps://github.com/feos-org/feos/pull/289/commits/79c76d9d32717b38df92811170c2fb245d944a80
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implement AD for all state constructorshttps://github.com/feos-org/feos/pull/289/commits/5d9dc3de533a6e19aa4e42a7c8508710b5890845
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updated saftvrqmie and UVhttps://github.com/feos-org/feos/pull/289/commits/5664a090a9d2e34b4b499dde3050fd18a2c741dc
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September 12, 2025 21:17https://github.com/feos-org/feos/pull/289#commits-pushed-c2fca34
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bikeshedding for the IdealGas traitshttps://github.com/feos-org/feos/pull/289/commits/c2fca349d6023fe5bfb9a47a00894c81a7f1d7a2
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687212ahttps://github.com/feos-org/feos/pull/289/commits/687212ab5a8cd5bd64e47d00c145eed69a3bb1fb
https://github.com/prehner
fixed stability_analysishttps://github.com/feos-org/feos/pull/289/commits/4738d5c93249161bd060576ecdca392fd73ce12e
4738d5chttps://github.com/feos-org/feos/pull/289/commits/4738d5c93249161bd060576ecdca392fd73ce12e
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fix markdown and String representations of stateshttps://github.com/feos-org/feos/pull/289/commits/b6dcf3fd69df0d2eb66505f19f71bf7a468f989b
b6dcf3fhttps://github.com/feos-org/feos/pull/289/commits/b6dcf3fd69df0d2eb66505f19f71bf7a468f989b
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fix some regression in the parameter handling in pythonhttps://github.com/feos-org/feos/pull/289/commits/043875bd4d168b688f671c82a4be782e191d4df6
043875bhttps://github.com/feos-org/feos/pull/289/commits/043875bd4d168b688f671c82a4be782e191d4df6
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add getters for Identifierhttps://github.com/feos-org/feos/pull/289/commits/e182cc948559b8de1a1df7afc24103048d2b6b38
e182cc9https://github.com/feos-org/feos/pull/289/commits/e182cc948559b8de1a1df7afc24103048d2b6b38
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remove some string allocationshttps://github.com/feos-org/feos/pull/289/commits/3d631bc4994ae96588a47cbf02dc8d989e199b6c
3d631bchttps://github.com/feos-org/feos/pull/289/commits/3d631bc4994ae96588a47cbf02dc8d989e199b6c
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rebasehttps://github.com/feos-org/feos/pull/289/commits/987bd7f894db6c7d0bfbb33d04e5728852454d51
987bd7fhttps://github.com/feos-org/feos/pull/289/commits/987bd7f894db6c7d0bfbb33d04e5728852454d51
https://github.com/prehner
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force-pushedhttps://github.com/feos-org/feos/compare/b6ef166ea16b5560b395f94cdb4156d17f4aae56..987bd7f894db6c7d0bfbb33d04e5728852454d51
b6ef166https://github.com/feos-org/feos/commit/b6ef166ea16b5560b395f94cdb4156d17f4aae56
987bd7fhttps://github.com/feos-org/feos/commit/987bd7f894db6c7d0bfbb33d04e5728852454d51
Compare https://github.com/feos-org/feos/compare/b6ef166ea16b5560b395f94cdb4156d17f4aae56..987bd7f894db6c7d0bfbb33d04e5728852454d51
September 12, 2025 19:19https://github.com/feos-org/feos/pull/289#event-19667775966
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September 12, 2025 23:10https://github.com/feos-org/feos/pull/289#commits-pushed-01e98ab
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pretty significant bug, no idea why it did not show earlierhttps://github.com/feos-org/feos/pull/289/commits/01e98ab035f9bda3a4917dcecbfca4bef23285e4
01e98abhttps://github.com/feos-org/feos/pull/289/commits/01e98ab035f9bda3a4917dcecbfca4bef23285e4
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fixes for num_dual changehttps://github.com/feos-org/feos/pull/289/commits/0277e027f4b9196430597e2aa992c4eb2a87800e
0277e02https://github.com/feos-org/feos/pull/289/commits/0277e027f4b9196430597e2aa992c4eb2a87800e
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Fix bubble Newton step for bubble points at given pressurehttps://github.com/feos-org/feos/pull/289/commits/e575ae624f9182c7c6e075d9c6c66895b0b19ce1
e575ae6https://github.com/feos-org/feos/pull/289/commits/e575ae624f9182c7c6e075d9c6c66895b0b19ce1
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Add tests for newton methods within bubble and dew point iterationshttps://github.com/feos-org/feos/pull/289/commits/b03222a87bafa45926253b0909502cc4aa37652a
b03222ahttps://github.com/feos-org/feos/pull/289/commits/b03222a87bafa45926253b0909502cc4aa37652a
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reactivate (and fix) PC-SAFT testshttps://github.com/feos-org/feos/pull/289/commits/f6be6aaee179033d308856d3053df81366806ede
f6be6aahttps://github.com/feos-org/feos/pull/289/commits/f6be6aaee179033d308856d3053df81366806ede
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update num-dual and quantity dependencieshttps://github.com/feos-org/feos/pull/289/commits/d352ed71c7106352c45342c6a9acdf1daf9eb088
d352ed7https://github.com/feos-org/feos/pull/289/commits/d352ed71c7106352c45342c6a9acdf1daf9eb088
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get rid of most Arcshttps://github.com/feos-org/feos/pull/289/commits/bb8f5e52034ebed8a7c3fdf02f0798d7cd54dca0
bb8f5e5https://github.com/feos-org/feos/pull/289/commits/bb8f5e52034ebed8a7c3fdf02f0798d7cd54dca0
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remove the ResidualConst traithttps://github.com/feos-org/feos/pull/289/commits/935b651e9c9f03488212865718508aa1ffefd285
935b651https://github.com/feos-org/feos/pull/289/commits/935b651e9c9f03488212865718508aa1ffefd285
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replace PureProperty and BinaryProperty with new Estimator structhttps://github.com/feos-org/feos/pull/289/commits/64726473ea22337f0a3d69ea3b8518e5daad1977
6472647https://github.com/feos-org/feos/pull/289/commits/64726473ea22337f0a3d69ea3b8518e5daad1977
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rebasehttps://github.com/feos-org/feos/pull/289/commits/d51c8d931ab9bfe5433b76b0c42b6ae94a8391fa
d51c8d9https://github.com/feos-org/feos/pull/289/commits/d51c8d931ab9bfe5433b76b0c42b6ae94a8391fa
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adding final docstrings to feos-corehttps://github.com/feos-org/feos/pull/289/commits/898c9177a54d10da559d895709eb753628a31542
898c917https://github.com/feos-org/feos/pull/289/commits/898c9177a54d10da559d895709eb753628a31542
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removed stuff that accidentally ended up herehttps://github.com/feos-org/feos/pull/289/commits/ba952f55872ecb0bfcd6e4c153c782d7ce2fea66
ba952f5https://github.com/feos-org/feos/pull/289/commits/ba952f55872ecb0bfcd6e4c153c782d7ce2fea66
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make python package usable without the "ad" featurehttps://github.com/feos-org/feos/pull/289/commits/3ed1307dbb3b0d237310212fe451500428a01dd4
3ed1307https://github.com/feos-org/feos/pull/289/commits/3ed1307dbb3b0d237310212fe451500428a01dd4
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Oct 13, 2025 https://github.com/feos-org/feos/pull/289#pullrequestreview-3331670405
View reviewed changes https://github.com/feos-org/feos/pull/289/files/3ed1307dbb3b0d237310212fe451500428a01dd4
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b4c2976https://github.com/feos-org/feos/commit/b4c29766d31a88778bf95cf208ef3a3367b55a34
Oct 13, 2025https://github.com/feos-org/feos/pull/289#event-20247736464
Please reload this pagehttps://github.com/feos-org/feos/pull/289
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October 13, 2025 13:34https://github.com/feos-org/feos/pull/289#event-20247737034
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