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To make our activities in electrochemistry better visible and also to make training environments easierly accessible, we should provide a container for that based on [`pyiron_electrochemistry`](https:…
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**Which term do you want to modify?**
IRI : https://w3id.org/emmo/domain/electrochemistry#electrochemistry_791c1915_a791_4450_acd8_7f94764743b5
**Provide a short (max 3 sentences) justification fo…
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Hello Prof. Sundararaman,
I'm trying to visualize solvent cavities in CANDLE using the createXSF script. I can see that it shifts the array to be centered at the coulomb truncation embed, but it se…
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The new Makefile approach (#143) to create datapackages, should probably included in the existing code to prevent code duplication.
see for example:
[ def create_examples(cls, name="alves_2011_…
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Dear Dr. Surendralal,
I have recently had the opportunity to delve into your inspiring work on computational electrochemistry [ Phys. Rev. Lett. 120, 246801, Phys. Rev. Lett. 126, 166802]. Your …
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The type in the Json file is different.
zotero:
json:
```
"tags": [
{
…
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E.g. domain-battery.ttl imports domain-electrochemistry which again imports several ontologies.
Currently there is a bug in EMMOntpPy and the catalog-file of the imported ontology is not considered…
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This means, ontologies in this repo or referred to in this repository.
Further imports directions should be in the catalogs down-stream.
Fix this issue after domain-electrochemistry and domain-batte…
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**Summary**
I'd like to create a pseudohydrogen potential with the modified valency (ZVAL)
e.g. potpaw_PBE/H.5/POTCAR with ZVAL = 0.48
But I faced at two errors and it would be great if there's w…
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Abiotic
Astable
Bioenergetics
Biofuels
Biogeography
Biomagnification
Breakerless
Coevolution
Contactor
Contactors
Decalcified
Decomposers
Demultiplexer
Desoldering
Distributorless
Dyna…