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Hello LAMMPS developers
I am doing water SPCE simulations and I am getting weird values in the energies, pressure and enthalpy.
When I run 500spce water molecules with pair style lj/cut/coul/long…
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In simulations with hydro+chemistry, we should use the same EOS for hydro and chemistry. This is currently not the case. For primordial chem, we are using the EOS in Microphysics whereas for hydro we …
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# How?
Move the `UThermodynamicComponent` and `AThermodynamicActor` inside this new module. Then, create a class `AThermodynamicCharacter` that `AScalarFieldCharacter` can inherit from, and place the…
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When we do a murn-fit like
```# [e0, b0, bP, v0], [e0_error, b0_error, bP_error, v0_error] = murn._fit_leastsq(volume_lst, energy_lst,fittype='vinet')```
we have the units in eV, GPa, and Ang^3.
…
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I tried to use the below chemkin mechanism in my combustion simulation project, but when i add it i get an error message that says:" error: Invalid THERMO data (thigh
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**Problem description**
The enthalpy of the electron species in `PlasmaPhase` is calculated incorrectly, such that the enthalpy of the electron depends on both the electron temperature and the …
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This method would compute the salt and freshwater flux using the actual bulk salinity in the sea ice instead of 4 psu.
This is essentially computing d(hS)/dt or salt volume change in the thermodyna…
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For some odd reason, my heat capacity disappears when I save until I add or remove something from the heat grid. Sometimes all my heat capacity disappears, and some times only part of it.
RimPy Modl…
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Design Doc Material update.
- [x] Flush out material tree for listing of what will exist
- [x] Density for materials in;
- [x] Pure Metals
- [x] Alloys
- [x] 2 Polymers
- [x] 2 C…
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I realized some eggs are mysteriously (for me) missing. One example is 20/022 by @invemichele
The source seems correct:
https://github.com/plumed-nest/plumed-nest/blob/master/eggs/20/022/nest.yml…