Commit 12037527 authored by Pardini, Lorenzo (lopa)'s avatar Pardini, Lorenzo (lopa)
Browse files

fixed small bug in muffin tin metadata

parent 16a20337
......@@ -279,8 +279,8 @@ mainFileDescription = \
SM(r"\s*Species\s*:\s*[0-9]\s*\((?P<x_exciting_geometry_atom_labels>[-a-zA-Z0-9]+)\)", repeats = True,
sections = ["x_exciting_section_atoms_group"],
subMatchers = [
# SM(r"\s*muffin-tin radius\s*:\s*(?P<x_exciting_muffin_tin_radius__bohr>[-0-9.]+)", repeats = True),
# SM(r"\s*# of radial points in muffin-tin\s*:\s*(?P<x_exciting_muffin_tin_points>[-0-9.]+)", repeats = True),
SM(r"\s*muffin-tin radius\s*:\s*(?P<x_exciting_muffin_tin_radius__bohr>[-0-9.]+)", repeats = True),
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*",
subMatchers = [
SM(r"\s*(?P<x_exciting_geometry_atom_number>[+0-9]+)\s*:\s*(?P<x_exciting_geometry_atom_positions_x__bohr>[-+0-9.]+)\s*(?P<x_exciting_geometry_atom_positions_y__bohr>[-+0-9.]+)\s*(?P<x_exciting_geometry_atom_positions_z__bohr>[-+0-9.]+)", repeats = True)
......
......@@ -257,8 +257,8 @@ mainFileDescription = \
SM(r"\s*Species\s*:\s*[0-9]\s*\((?P<x_exciting_geometry_atom_labels>[-a-zA-Z0-9]+)\)", repeats = True,
sections = ["x_exciting_section_atoms_group"],
subMatchers = [
SM(r"\s*muffin-tin radius\s*:\s*(?P<x_exciting_muffin_tin_radius__bohr>[-0-9.]+)"),
SM(r"\s*.+\s*radial points in muffin-tin\s*:\s*(?P<x_exciting_muffin_tin_points>[-0-9.]+)"),
SM(r"\s*muffin-tin radius\s*:\s*(?P<x_exciting_muffin_tin_radius__bohr>[-0-9.]+)", repeats = True),
SM(r"\s*.+\s*radial points in muffin-tin\s*:\s*(?P<x_exciting_muffin_tin_points>[-0-9.]+)", repeats = True),
SM(startReStr = r"\s*atomic positions\s*\(lattice\)",
subMatchers = [
SM(r"\s*(?P<x_exciting_geometry_atom_number>[+0-9]+)\s*:\s*(?P<x_exciting_geometry_atom_positions_x__bohr>[-+0-9.]+)\s*(?P<x_exciting_geometry_atom_positions_y__bohr>[-+0-9.]+)\s*(?P<x_exciting_geometry_atom_positions_z__bohr>[-+0-9.]+)", repeats = True)
......
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