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### What can be improved?
# The problem
Currently, the main `Snakefile` produces files for different model configurations (national, regional, continental).
This results in a lot of wasted proc…
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Dear authors:
It's very promising to witness that the stronger Mistral-7b llm models enhance the capability of video understanding. We would eager to see more potentials performed by replacing the …
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Hi there,
I'm working on adding support for PBE_64 potentials in pymatgen. This requires updating two JSON files containing POTCAR hash information:
1. [vasp_potcar_pymatgen_hashes.json](https:/…
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As discussed in the pyiron meeting on 02.05.2022, I am planning to update the [Potentials](https://github.com/pyiron/pyiron_atomistics/blob/master/pyiron_atomistics/lammps/potential.py) class.
The…
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add simple external potentials and bonds
right now, the `particle` has a step method: the trajectory step method calls the step for each particle, but this is the same for all particle types
how ca…
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There are duplicate classes and incompatible interfaces, this needs to be corrected.
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At the moment, the only time-varying parameter sent to the C++ backend is the rotation frequency \Omega(t). Sudden step-function-like changes of the potential are also easy because you can just call t…
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The calculation of liquid junction potentials seems to be generally done using the Henderson equation. This is equation (8) in [this paper](https://pubs.acs.org/doi/pdf/10.1021/ac50014a035). The paper…
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Hello all,
I was just wondering if you could possibly address the following for me please?
--The equation defining the relation between lensing C_l^phiphi and Cl^gamma-gamma given in explanatory…
mo323 updated
7 years ago
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The actual interaction potentials should be separated from generic properties like
cutoff, offset and shift. This is independent from each other, would give all potentials
shifts and cutoff and woul…