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spant (version 4.4.0)

rm_basis_elements: Remove elements from a basis set object.

Description

Remove elements from a basis set object.

Usage

rm_basis_elements(basis, rm_str)

Value

basis with elements removed.

Arguments

basis

input basis.

rm_str

a grep expression to remove basis elements. Use "|" for multiple matches, eg to match alanine and lactate only : "^Ala$|^Lac$".