Documentation for module lri_optimize_ri_basis

Optimizes exponents and contraction coefficients of the lri auxiliary basis sets using the UOBYQA minimizer lri : local resolution of the identity

source: lri_optimize_ri_basis.F
Loading...

public Subroutines/Functions:

optimizes the lri basis set

SUBROUTINEoptimize_lri_basis(qs_env)

optimizes the lri basis set

Arguments:
POINTER
:: qs_env qs environment