def test_chain_hubbardI_so(request):
org_dir = os.getcwd()
os.chdir(request.fspath.dirname)
seedname = 'test'
dcore_pre('dmft.ini')
dcore('dmft.ini')
dcore_post('dmft.ini')
data_files = glob.glob('./ref/*')
for path in data_files:
base_name = os.path.basename(path)
print("base_nam,e ", base_name)
if base_name == seedname + '.h5':
h5diff(base_name, path)
elif base_name == seedname + '.out.h5':
h5diff(base_name, path, "dmft_out/Sigma_iw")
elif not re.search('.dat$', base_name) is None:
numdiff(base_name, path)
else:
raise RuntimeError("Uknown how to check " + base_name)
os.chdir(org_dir)
dcore_bse("sparse_fit.ini" + postfix)
sys.stdout.flush()
# interpolated data
bse = h5BSE("dmft_bse.h5" + postfix)
xloc_fit = bse.get(('X_loc', 0))
# compare
for key in xloc_fit:
# for test
print("distance:", numpy.linalg.norm(xloc_fit[key] - self.xloc_ref[key]))
sys.stdout.flush()
# compare
numpy.testing.assert_allclose(xloc_fit[key], self.xloc_ref[key], atol=1e-2)
# self.assertTrue(numpy.allclose(xloc_fit[key], self.xloc_ref[key], rtol=1e-2))
sys.stdout.flush()
def test_fit_Lambda100(self):
self._fit_and_compare(".Lambda100")
if __name__ == '__main__':
input_ini = "sparse_fit.ini.ref"
dcore_pre(input_ini)
dcore(input_ini)
dcore_bse(input_ini)
unittest.main()
#
# DCore -- Integrated DMFT software for correlated electrons
# Copyright (C) 2017 The University of Tokyo
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# This program 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 General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see <https://www.gnu.org/licenses/>.
#
from __future__ import print_function
from dcore.tools import h5diff
from dcore.dcore import dcore
dcore('dmft.ini')
h5diff("test.out.h5", "test_ref.out.h5", "dmft_out/Sigma_iw")