Commit 479eca9b authored by Pardini, Lorenzo (lopa)'s avatar Pardini, Lorenzo (lopa)
Browse files

fixed small bug with magnetic moments

parent baebdf43
......@@ -387,13 +387,14 @@ mainFileDescription = \
SM(r"\s*# of radial points in muffin-tin\s*:\s*(?P<x_exciting_muffin_tin_points>[-0-9.]+)", repeats = True),
# SM(startReStr = r"\s*atomic positions\s*\(lattice\)\s*:\s*",
SM(startReStr = r"\s*atomic positions\s*\((?P<x_exciting_atom_position_format>[-a-zA-Z]+)\)\s*:\s*",
endReStr = r"\s*magnetic fields\s*",
subMatchers = [
SM(r"\s*(?P<x_exciting_geometry_atom_number>[+0-9]+)\s*:\s*(?P<x_exciting_geometry_atom_positions_x>[-+0-9.]+)\s*(?P<x_exciting_geometry_atom_positions_y>[-+0-9.]+)\s*(?P<x_exciting_geometry_atom_positions_z>[-+0-9.]+)", repeats = True)
]),
SM(startReStr = r"\s*magnetic fields\s*\((?P<x_exciting_magnetic_field_format>[-a-zA-Z]+)\)\s*:\s*",
subMatchers = [
SM(r"\s*(?P<x_exciting_MT_external_magnetic_field_atom_number>[+0-9]+)\s*:\s*(?P<x_exciting_MT_external_magnetic_field_x>[-+0-9.]+)\s*(?P<x_exciting_MT_external_magnetic_field_y>[-+0-9.]+)\s*(?P<x_exciting_MT_external_magnetic_field_z>[-+0-9.]+)", repeats = True)
])
]) #,
# SM(startReStr = r"\s*magnetic fields\s*\((?P<x_exciting_magnetic_field_format>[-a-zA-Z]+)\)\s*:\s*",
# subMatchers = [
# SM(r"\s*(?P<x_exciting_MT_external_magnetic_field_atom_number>[+0-9]+)\s*:\s*(?P<x_exciting_MT_external_magnetic_field_x>[-+0-9.]+)\s*(?P<x_exciting_MT_external_magnetic_field_y>[-+0-9.]+)\s*(?P<x_exciting_MT_external_magnetic_field_z>[-+0-9.]+)", repeats = True)
# ])
]),
SM(r"\s*Total number of atoms per unit cell\s*:\s*(?P<x_exciting_number_of_atoms>[-0-9.]+)"),
SM(r"\s*Spin treatment\s*:\s*(?P<x_exciting_spin_treatment>[-a-zA-Z\s*]+)",
......
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