Source code for ase2sprkkr.outputs.test.test_output

if __package__:
   from .init_tests import TestCase, patch_package
else:
   from init_tests import TestCase, patch_package
__package__, __name__ = patch_package(__package__, __name__)

import os
from ..readers.scf import ScfOutputReader

[docs]class TestOutput(TestCase):
[docs] def test_output(self): ScfOutputReader.atoms_conf_type.parse( """ 33 E= 0.6083 0.0000 IT= 1 Li_1 DOS NOS P_spin m_spin P_orb m_orb B_val B_core s 0.4387 0.0296 0.0000 0.0000 0.00000 0.00000 0.00 s 0.00 p 1.2579 0.0962 0.0000 0.0000 0.00000 0.00000 0.00 ns 0.00 d 0.6886 0.0926 0.0000 0.0000 0.00000 0.00000 0.00 cor 0.00 f 0.3427 0.0476 0.0000 0.0000 0.00000 0.00000 0.00 sum 2.7279 0.2660 0.0000 0.0000 0.00000 0.00000 0.00 v+c 0.00 E_band 0.11559127 [Ry] dipole moment 1 0.0000000000000000 0.0000000000000000 0.0000000000000000""")