-
Hi @balhoff
ChEBI terms used in the ontology should be limited to the pH7.3 list (see https://github.com/geneontology/go-ontology/issues/27012). Can you add a check for this?
Thanks, Pascale
-
I was trying to verify the output of twoPhotonRydbergExcitation() function for Rb87 following the experimental and theoretical results of https://arxiv.org/pdf/0711.0401.pdf paper.
The paper sugges…
-
Hello,
I have a question regarding the method 'getDipoleMatrixElementHFStoFS'. I have seen this method listed in some Alkali atoms classes such as 'Caesium()', 'Rubidium()', but when I try:
`Cae…
-
"ion_phys" feels a little derivative, and more importantly inaccurate as this repo does not model anything special about ions, but is more generally about atomic physics.
That said, how about calli…
-
Hello,
I have been using ARC and it was working fine until today it suddenly crashes. When I tried to import the atoms data using Caesium() or StarkMap(Cesium()) using the following code:
```pyt…
-
Should probably round out the alkali atoms in the our little atomic database
-
The following input, given to me via email, gives a 'bad' dMP2 correction for SAPT:
```
delta HF,r (2) -18.53850185 [mEh] -11.63308554 [kcal/mol] -48.67282991 [kJ/mol]
…
hokru updated
2 years ago
-
## Feature description
Lanthanides like to have many neighbors and we now many instances in CoRE where they have surprisingly few neighbors.
## Implementation idea
```python
def _check_meta…
-
While I did not find the CSD definition of a "metal" in the [MOF subset paper](https://doi.org/10.1021/acs.chemmater.7b00441) [1], the MOF subset contains several structures with metalloids like Antim…
-
it is slow.
```
561238683 function calls (536248964 primitive calls) in 278.506 seconds
Ordered by: internal time
ncalls tottime percall cumtime percall filename:lineno(fun…