Documentation for module qs_elec_field

Distribution of the electric field gradient integral matrix.

source: qs_elec_field.F
Loading...

public Subroutines/Functions:

Calculation of the electric field gradient matrix over Cartesian Gaussian functions.

SUBROUTINEbuild_efg_matrix(qs_env, matrix_efg, rc)

Calculation of the electric field gradient matrix over Cartesian Gaussian functions.

Arguments:
POINTER
:: qs_env ...
POINTER
:: matrix_efg(:) ...
REAL(dp),
INTENT(in)
:: rc(3) ...