spectral_localizer_flatten.F File Reference

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Modules
module	spectral_localizer_flatten
	Metric-covariant spectral flattening with existing distributed matrix iterations.

Functions/Subroutines
subroutine, public	spectral_localizer_flatten::localizer_flatten_checked (h, s, energy, scale, tolerance, metric_tolerance, gap_tolerance, para_env, flattened, gap, metric_ratio, residuals, status)
	Establish a positive AO metric and electronic gap before iterating the matrix sign.
subroutine, public	spectral_localizer_flatten::localizer_flatten_dbcsr (h, s, energy, scale, tolerance, para_env, flattened, residuals, status)
	Form scale*S*sign(S^-1*(H-energy*S)) without dense AO matrices or S^-1/2.