pade_utils.py
No OneTemporary
Actions

Subscribers

None

File Metadata

	# Copyright (C) 2018 by the RROMPy authors
	#
	# This file is part of RROMPy.
	#
	# RROMPy is free software: you can redistribute it and/or modify
	# it under the terms of the GNU Lesser General Public License as published by
	# the Free Software Foundation, either version 3 of the License, or
	# (at your option) any later version.
	#
	# RROMPy is distributed in the hope that it will be useful,
	# but WITHOUT ANY WARRANTY; without even the implied warranty of
	# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
	# GNU Lesser General Public License for more details.
	#
	# You should have received a copy of the GNU Lesser General Public License
	# along with RROMPy. If not, see <http://www.gnu.org/licenses/>.
	#

	import numpy as np
	from rrompy.utilities.base.types import Np1D, Np2D, Tuple
	from rrompy.utilities.warning_manager import warn

	def checkRobustTolerance(ev:Np1D, E:int, tol:float) -> dict:
	N = len(ev) - 1
	ts = tol * np.linalg.norm(ev)
	diff = N - np.sum(np.abs(ev) >= ts)
	if diff <= 0: return {}
	Enew = E - diff
	Nnew = min(N, Enew)
	if Nnew == N:
	strN = ""
	else:
	strN = "N from {} to {} and ".format(N, Nnew)
	warn(("Smallest {} eigenvalues below tolerance.\nReducing {}E from {} to "
	"{}.").format(diff + 1, strN, E, Enew))
	newParameters = {"N" : Nnew, "E" : Enew}
	return newParameters