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Hello, I have found some literatures on Cp and enthalpy of chemical substances (because there is a little big difference between Cp and enthalpy of BioSTEAM and Aspen). I still have the following ques…
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I get a segmentation fault when using the new MueLu settings provided by Ray Tuminaro for the Humboldt problem.
I tried different settings, below is the error for `P1semR1transP2const`:
```
2: ****…
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Is there functionality in `castep-parse` to parse [`.res` files](https://airss-docs.github.io/tutorials/examples/)? Specifically, I'm trying to extract the structure in SHELX format and data like pres…
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I am looking to compute atomization enthalpies with through QCEngine and found it is not yet supported.
What's the route forward to adding support for Hessian calculations? I am not too familiar wi…
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Temperature [K] | 297.449
-- | --
Pressure [Pa] | 6331381.002015263
Vapor quality [kg/kg] | -1.0
Speed of sound [m/s] | 284.1938775031232
Density [kg/m3] | 720.8251582267119
…
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Dear CASM developers,
I found that although the formation energies at 0K CE are zero for two end members (as they are set as references), the ones generated from finite-T MC are not.
I can under…
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Don’t stop calculations for any except P > 100 MPaa
* Max P = 100 MPaa (note: this is different than saturated properties)
* Max T:
* If P 50 MPAa, max T = 1073.15K
* Enthalpy & Entropy – if cal…
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This is a placeholder issue for adding a function to calculate the saturation temperature from enthalpy and barometric pressure. An implementation in EnergyPlus is found [here](https://github.com/NREL…
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### Description
Performence decay when switching to Refprop 10 Fortran Sources: Increase of computation time by factor of >100
Performance decay due to performanc issue in routine hsflash
### S…
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The sophisticated implementation of `positiveMax()` in [Section 15.2](https://specification.modelica.org/master/stream-connectors.html#instream-and-connection-equations) contains the following definit…