[{
"type": "thumb-down",
"id": "missingTheInformationINeed",
"label":"Missing the information I need"
},{
"type": "thumb-down",
"id": "tooComplicatedTooManySteps",
"label":"Too complicated / too many steps"
},{
"type": "thumb-down",
"id": "outOfDate",
"label":"Out of date"
},{
"type": "thumb-down",
"id": "samplesCodeIssue",
"label":"Samples / code issue"
},{
"type": "thumb-down",
"id": "otherDown",
"label":"Other"
}]
[{
"type": "thumb-up",
"id": "easyToUnderstand",
"label":"Easy to understand"
},{
"type": "thumb-up",
"id": "solvedMyProblem",
"label":"Solved my problem"
},{
"type": "thumb-up",
"id": "otherUp",
"label":"Other"
}]
openfermion.chem.make_atom
Prepare a molecular data instance for a single element.
openfermion.chem.make_atom(
atom_type, basis, filename=''
)
Args |
|---|
atom_type
|
Float giving atomic symbol.
|
basis
|
The basis in which to perform the calculation.
|
Returns |
|---|
atom
|
An instance of the MolecularData class.
|
[{
"type": "thumb-down",
"id": "missingTheInformationINeed",
"label":"Missing the information I need"
},{
"type": "thumb-down",
"id": "tooComplicatedTooManySteps",
"label":"Too complicated / too many steps"
},{
"type": "thumb-down",
"id": "outOfDate",
"label":"Out of date"
},{
"type": "thumb-down",
"id": "samplesCodeIssue",
"label":"Samples / code issue"
},{
"type": "thumb-down",
"id": "otherDown",
"label":"Other"
}]
[{
"type": "thumb-up",
"id": "easyToUnderstand",
"label":"Easy to understand"
},{
"type": "thumb-up",
"id": "solvedMyProblem",
"label":"Solved my problem"
},{
"type": "thumb-up",
"id": "otherUp",
"label":"Other"
}]
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Last updated 2021-07-24 UTC.
View source on GitHub