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Version 0.21.0
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ianhbell committed Aug 10, 2024
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32 changes: 30 additions & 2 deletions README.md
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Expand Up @@ -19,8 +19,8 @@ So far the following EOS are implemented:
* Soave-Redlich-Kwong
* quantum-corrected Peng-Robinson for cryogens
* SAFT*ish*:
* PC-SAFT (+dipoles, +quadrupoles, but no association)
* SAFT-VR-Mie (mixtures, but no association)
* PC-SAFT (+dipoles, +quadrupoles) and association
* SAFT-VR-Mie and association
* cubic plus association (CPA)
* model fluids
* Exp-6 (modified Buckingham) from Kataoka
Expand All @@ -45,6 +45,34 @@ Written by Ian Bell, NIST, with the help of colleagues and collaborators

[![PyPI version](https://badge.fury.io/py/teqp.svg)](https://badge.fury.io/py/teqp)

* 0.21.0:

* Features:

* Added tools for fitting pure fluid models more easily
* Added other parameter matrices for PC-SAFT
* Added Dufal (Mie-based) association model

* Issues closed:

* [#129](https://github.com/usnistgov/teqp/issues/129) : Add header file for C interface
* [#131](https://github.com/usnistgov/teqp/issues/131) : Add association term of Dufal
* [#133](https://github.com/usnistgov/teqp/issues/133) : PCSAFT correction from Liang
* [#137](https://github.com/usnistgov/teqp/issues/137) : Implement Simple association model for single interaction pair
* [#138](https://github.com/usnistgov/teqp/issues/138) : ifluid cannot be specified for some superanc for cubics
* [#139](https://github.com/usnistgov/teqp/issues/139) : Virial coefficients are all zero in Mie n-6 model of Pohl
* [#140](https://github.com/usnistgov/teqp/issues/140) : Fix/test virial coefficients for all models
* [#141](https://github.com/usnistgov/teqp/issues/141) : Show how to find the true critical points for 32/yf binary mixtures
* [#144](https://github.com/usnistgov/teqp/issues/144) : Allow no composition derivatives in get_ATrhoXi_runtime
* [#145](https://github.com/usnistgov/teqp/issues/145) : Expose/document the derivatives needed in PHIDERV

* Pull requests merged:

* [#134](https://github.com/usnistgov/teqp/pull/134) : Add a and b parameters from the papers of Liang for PC-SAFT
* [#136](https://github.com/usnistgov/teqp/pull/136) : Implement the association model of Dufal
* [#143](https://github.com/usnistgov/teqp/pull/143) : Virialsfixtest
* [#146](https://github.com/usnistgov/teqp/pull/146) : Pure Parameter Optimization

* 0.20.0:

* Features:
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2 changes: 1 addition & 1 deletion interface/teqpversion.hpp
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@@ -1,2 +1,2 @@
#include <string>
const std::string TEQPVERSION = "0.20.1";
const std::string TEQPVERSION = "0.21.0";

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