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SolverStateBase.py
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SolverStateBase.py
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#!/usr/bin/env python3
## vi: tabstop=4 shiftwidth=4 softtabstop=4 expandtab
## ---------------------------------------------------------------------
##
## Copyright (C) 2018 by the adcc authors
##
## This file is part of adcc.
##
## adcc 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.
##
## adcc 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 adcc. If not, see <http://www.gnu.org/licenses/>.
##
## ---------------------------------------------------------------------
from adcc.timings import Timer
class EigenSolverStateBase:
def __init__(self, matrix):
"""Initialise an EigenSolverStateBase.
Parameters
----------
matrix
Matrix to be diagonalised.
"""
self.matrix = matrix
self.eigenvalues = None # Current eigenvalues
self.eigenvectors = None # Current eigenvectors
self.residual_norms = None # Current residual norms
self.converged = False # Flag whether iteration is converged
self.n_iter = 0 # Number of iterations
self.n_applies = 0 # Number of applies
self.timer = Timer() # Construct a new timer
def describe(self):
text = ""
problem = str(self.matrix)
algorithm = getattr(self, "algorithm", "")
if self.converged:
conv = "converged"
else:
conv = "NOT CONVERGED"
text += "+" + 60 * "-" + "+\n"
text += "| {0:<41s} {1:>15s} |\n".format(algorithm, conv)
text += ("| {0:30s} n_iter={1:<3d} n_applies={2:<5d} |\n"
"".format(problem[:30], self.n_iter, self.n_applies))
text += "+" + 60 * "-" + "+\n"
text += ("| # eigenvalue res. norm "
"dominant elements |\n")
body = "| {0:2d} {1:14.7g} {2:9.4g} TODO |\n"
for i, vec in enumerate(self.eigenvectors):
text += body.format(i, self.eigenvalues[i], self.residual_norms[i])
text += "+" + 60 * "-" + "+"
return text
def _repr_pretty_(self, pp, cycle):
if cycle:
pp.text("SolverState(...)")
else:
pp.text(self.describe())