rt_hfx_utils Module Reference

Utility functions that are needed for RTP/EMD in combination with HF or hybrid functionals (needs to deal with imaginary KS and P. More...

Functions/Subroutines
subroutine, public	rtp_hfx_rebuild (qs_env)
	rebuilds the structures of P and KS (imaginary) in case S changed

Detailed Description

Utility functions that are needed for RTP/EMD in combination with HF or hybrid functionals (needs to deal with imaginary KS and P.

History

2014 created [fschiff]

Author

Florina Schiffmann

Function/Subroutine Documentation

rtp_hfx_rebuild()

subroutine, public rt_hfx_utils::rtp_hfx_rebuild

(

type(qs_environment_type), pointer

qs_env

)

rebuilds the structures of P and KS (imaginary) in case S changed

Parameters

qs_env

...

Author

Florian Schiffmann

Definition at line 49 of file rt_hfx_utils.F.

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