Documentation for module qs_linres_epr_utils

g tensor calculation by dfpt Initialization of the epr_env, creation of the special neighbor lists Perturbation Hamiltonians by application of the p and rxp oprtators to psi0 Write output Deallocate everything

source: qs_linres_epr_utils.F
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public Subroutines/Functions:

Deallocate the epr environment
Initialize the epr environment

SUBROUTINEepr_env_cleanup(epr_env)

Deallocate the epr environment

Arguments:
:: epr_env ...

SUBROUTINEepr_env_init(epr_env, qs_env)

Initialize the epr environment

Arguments:
:: epr_env ...
POINTER
:: qs_env ...