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**Submitting author:** @jaclark5 (Jennifer A Clark)
**Repository:** https://github.com/Santiso-Group/despasito
**Branch with paper.md** (empty if default branch): master
**Version:** 0.3.0
**Editor:**…
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Description:
Request for enhancement to add general inverse property lookup capabilities to Pyromat, enabling users to calculate properties like temperature or pressure based on other properties (e…
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I initially created this issue over on the [Reaktoro github](https://github.com/reaktoro/reaktoro/discussions/391), but as it seems to be related to ThermoFun i will also raise it here. In developing …
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I noticed that the combustion chamber thermodynamic calculation process in this program does not include efficiency. How can I modify the code to consider the efficiency of the main combustion chamber…
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When testing some Quasi harmonic approximation calculations from the examples, I seem to have come across some type of compiling error possibly. In something like `/example/Al-QHA` I'll try to run `ph…
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# 1. Current status
Currently, we have a working version of a dynamic CSTR (branch: `vini/newsyntax`) using `Clapeyron.jl` for property prediction, specifically for density and enthalpy calculation…
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Hello! While working with multi-phase water, I observed that the saturated pressure methods `substance.ps()` yield different results compared to the regular pressure method `substance.p()` when the qu…
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# The Climate Modeling Alliance
## Software Design Issue 📜
### Purpose
> O2.5.2: Generalize coupling and surface fluxes to accommodate full land model, including:
> - component models using differ…
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**Is your feature request related to a problem? Please describe.**
I am taking the results of QCEngine calculations and using them to compute thermodynamic properties. Would QCElemental be a good hom…
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Dear OpenMM developers,
For the CustomNonbondedForce, it has the addEnergyParameterDerivative() function, which allows one to carry out thermodynamic integration (TI) calculations conveniently. How…