-
Please check these boxes before submitting your issue, thank you!
- [x] aiida-vasp and aiida-core are installed in a virtualenv that is used for nothing else
- [x] if you are installing from the…
-
We are exploring wall flame heat feedback from a 40 kW propane burner at the base of a corner wall [https://doi.org/10.1002/fam.2524](https://doi.org/10.1002/fam.2524) and have found a sensitivity of …
-
Hi,
I am currently trying to predict the enthalpy of a high-temperature stream of methane and hydrogen (>1200K). This is not currently supported under the default EOS so I was just wondering if you…
-
This case creates an overflow integer in the HVAC loop
```
Newton method to find solution of T (and hence cpbar) from enthalpy
```
ETOT appears to go bad sending temperature to a fictitiously high…
-
We could benefit from a high-level interface, defined as an interface that deals with logfile and model objects directly. All functions would be higher-level versions of internal procedures. This is r…
-
I think I am running out of memory even with 392GB for running standard pipeline for molecules size of ribociclib (62 atoms). The input for python poltype.py is:
```
structure=ribociclib.sdf
scrat…
-
forgive me, i'm unclear how to get the values for the enthalpy and entropy of liquid states, for instance, from the ig table. to solve problems like, calculate the enthalpy and entropy for the follow…
-
I am using the refprop wrapper for Labview. When I compare the results with Refprop in Excel, the enthalpy and entropy values do not agree. I am using ASH as the reference state, R404A.MIX, and vers…
-
**Problem description**
All builds on the ppc64le architecture with F36/Rawhide now fail. This was not the case four days ago (see https://copr.fedorainfracloud.org/coprs/fuller/Cantera/builds/…
-
need to divide by MW to go from moles to mass.
see
https://github.com/kaschau/PEREGRINE/blob/main/src/compute/thermo/tpg.cpp