Documentation for module commutator_rkinetic

Calculation of commutator of kinetic energy and position operator

source: commutator_rkinetic.F
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public Subroutines/Functions:

Calculation of commutator [T,r] over Cartesian Gaussian functions.

SUBROUTINEbuild_com_tr_matrix(matrix_tr, qs_kind_set, basis_type, sab_nl)

Calculation of commutator [T,r] over Cartesian Gaussian functions.

Arguments:
POINTER
:: matrix_tr(:) ...
POINTER
:: qs_kind_set(:) ...
CHARACTER(*),
INTENT(in)
:: basis_type basis set to be used
POINTER
:: sab_nl(:) pair list (must be consistent with basis sets!)