`deepmd.utils.econf_embd`

Module Contents

`make_empty_list_vec`()
`flatten_list_vec`(lv)
`make_element_embedding_list_vec`(→ numpy.ndarray)	Compute the embedding of one element.
`make_econf_embedding`(types[, flatten])
`print_econf_embedding`(res)

`electronic_configuration_embedding`
`ln_to_lett`
`lett_to_ln`
`conf_keys`
`maxn`
`maxl`
`maxm`
`type_map`

deepmd.utils.econf_embd.conf_keys = [(1, 's'), (2, 's'), (2, 'p'), (3, 's'), (3, 'p'), (3, 'd'), (4, 's'), (4, 'p'), (4, 'd'), (4,...[source]

deepmd.utils.econf_embd.make_element_embedding_list_vec(ename: str) → numpy.ndarray[source]: Compute the embedding of one element.

deepmd.utils.econf_embd.make_econf_embedding(types, flatten=True)[source]