Documentation for module qs_commutators

Calculation of commutator [H,r] matrices

source: qs_commutators.F
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public Subroutines/Functions:

Calculation of the [H,r] commutators matrices over Cartesian Gaussian functions.

SUBROUTINEbuild_com_hr_matrix(qs_env, matrix_hr)

Calculation of the [H,r] commutators matrices over Cartesian Gaussian functions.

Arguments:
POINTER
:: qs_env ...
OPTIONAL, POINTER
:: matrix_hr(:) ...