Atom#
Class#
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Atom class. |
Id attributes#
Name of the atom. |
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Index of an atom, meant to be unique for some group of atoms. |
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Type of an atom (i.e. Cr, Ni, ...). |
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Fullname (name__index) of an atom. |
Spin#
Spin value of the atom. |
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Classical spin direction of the atom. |
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Classical spin vector of the atom. |
Other properties#
Magnetic moment of the atom. |
|
Charge of the atom. |