Documentation for module qs_resp

provides a resp fit for gas phase systems

source: qs_resp.F
Loading...

public Subroutines/Functions:

SUBROUTINE
resp_fit (qs_env)
performs resp fit and generates RESP charges

SUBROUTINEresp_fit(qs_env)

performs resp fit and generates RESP charges

Arguments:
POINTER
:: qs_env the qs environment