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From yesterday, every 10 minutes I take measurements (NodeMCU + CCS811). In the code I have ```delay (300000);```. I send measurements to my InfluxDB database. I visualize them using Grafan. Here are …
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**Describe the bug**
If an element is present in multiple places of the `elem_map`, the `Composition.replace` will return an incorrect result.
**To Reproduce**
``` python
from pymatgen.core im…
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I've just been reviewing the branch shown below (with current EC/RHEA xrefs):
```
histone demethylase activity
|__histone demethylase activity (H3-R2 specific)
|__histone demethylase activity (H…
sjm41 updated
2 years ago
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Hi pymatgen developers.
I am generating slab structures for an inorganic crystal containing a phosphate ion (KH2PO4).
I would like to have no broken P--O bonds so I used the `bonds={("P", "O"): …
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It would be advantageous to be able to specify an upper boundary condition in CAM, CAM-CHEM and WACCM from a file. CAM-CHEM currently has a zero flux condition and so misses upper atmospheric sources …
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Hi, I am trying to calculating CF eigenvalues of NdAlO3 system for Nd+3 ions. However, I am getting the error as following. Tried changing names of Nd+3, Nd etc for the central ion but couldn't succee…
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Hello, Shanka,
As a beginner, I do not understand the meaning of some parameters, and I am looking forward to your help.
The Lowdin Population Analysis is always displayed at the end of the total en…
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I encountered a long list of deprecation and other warnings when running `python build.py` from `idaes-pse/docs` (see the comment below). My new RST file and the doctree/index links parsed correctly, …
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Classes such as CompositionToOxidComposition and StructureToOxidStructure are quite slow.
For example, adding oxidation states to compositions in "matbench_expt_gaps" which is ~4k samples is takin…
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SearchGUI on usegalaxy.eu requests a json file that is not described here. What is the format of this "Identification Parameters file"? Can you provide details on what it should contain?