rt_projection_mo_utils.F File Reference

#include "./../base/base_uses.f90"

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Modules
module	rt_projection_mo_utils
	Function related to MO projection in RTP calculations.

Functions/Subroutines
subroutine, public	rt_projection_mo_utils::init_mo_projection (qs_env, rtp_control)
	Initialize the mo projection objects for time dependent run.
subroutine, public	rt_projection_mo_utils::compute_and_write_proj_mo (qs_env, mos_new, proj_mo, n_proj)
	Compute the projection of the current MO coefficients on reference ones and write the results.