xas_tdp_methods.F File Reference

#include "./base/base_uses.f90"

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Modules
module	xas_tdp_methods
	Methods for X-Ray absorption spectroscopy (XAS) using TDDFPT.

Functions/Subroutines
subroutine, public	xas_tdp_methods::xas_tdp (qs_env)
	Driver for XAS TDDFT calculations.
subroutine, public	xas_tdp_methods::xas_tdp_init (xas_tdp_env, xas_tdp_control, qs_env)
	Overall control and environment types initialization.