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Dear Developers,
I just started using MDSuite-0.2.0 and following the NaCl_walkthrough example, provided in the example directory. Everything seems fine except the Green Kubo Ionic Conductivity which…
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there are a lot of tools that parse LaTeX, but unsure of how easy it is to reliably extract logical groupings of TeX.
To narrow the scope of the survey, exclude tools that rely on conversion to so…
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OPTIMADE specification v1.0.1 defines a structure as a set of sites, occupied by mixtures of atoms, with each atom described by its chemical type, mass and occupancy (proportion in the mixture). Means…
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v1kko updated
7 months ago
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**Submitting author:** @IonRepo (Claudio Cazorla)
**Repository:** https://github.com/IonRepo/IonDiff
**Branch with paper.md** (empty if default branch): main
**Version:** 1.6
**Editor:** @rkurchin
**R…
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**Submitting author:** @rkingsbury (Ryan Kingsbury)
**Repository:** https://github.com/rkingsbury/pyEQL
**Branch with paper.md** (empty if default branch): joss
**Version:** v1.0.0
**Editor:** @lucydo…
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### Version
v2023.2.28
### Which OS(es) are you using?
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### What happened?
- There are about 80 ValueErro…
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Hi!
We simulated the Hay model, with synaptic stimulation and recorded imem, Ipas, icap and vmem from LFPy. According to my understanding, imem contains the sum of all the currents which are necess…
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For correctly stable voltage updates, the computed conductivity should capture, at least to first order, the voltage contribution to the determined currents.
In the currently generated code, the co…