Documentation for module pao_linpot_full

Full parametrization of Fock matrix, ie. the identity parametrization.

source: pao_linpot_full.F
Loading...

public Subroutines/Functions:

Builds potential terms
Count number of terms for given atomic kind

SUBROUTINElinpot_full_calc_terms(v_blocks)

Builds potential terms

Arguments:
REAL(dp),
INTENT(out)
:: v_blocks(:,:,:) ...

SUBROUTINElinpot_full_count_terms(qs_env, ikind, nterms)

Count number of terms for given atomic kind

Arguments:
POINTER
:: qs_env ...
INTEGER,
INTENT(in)
:: ikind ...
INTEGER,
INTENT(out)
:: nterms ...