(git:ccc2433)
qs_linres_current_utils.F File Reference

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Modules

module  qs_linres_current_utils
 Chemical shift calculation by dfpt Initialization of the nmr_env, creation of the special neighbor lists Perturbation Hamiltonians by application of the p and rxp oprtators to psi0 Write output Deallocate everything.
 

Functions/Subroutines

subroutine, public qs_linres_current_utils::current_response (current_env, p_env, qs_env)
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subroutine, public qs_linres_current_utils::current_env_init (current_env, qs_env)
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subroutine, public qs_linres_current_utils::current_env_cleanup (current_env)
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