fixed small bug with muffin tin

6e23c6d0 · Pardini, Lorenzo (lopa) · c747ca46 · 6e23c6d0
Commit 6e23c6d0 authored Jan 24, 2017 by Pardini, Lorenzo (lopa)
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Showing with 2 additions and 2 deletions

parser/parser-elk/parser_elk.py parser/parser-elk/parser_elk.py +2 -2

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--- a/parser/parser-elk/parser_elk.py
+++ b/parser/parser-elk/parser_elk.py
@@ -203,8 +203,8 @@ mainFileDescription = \
    SM(r"\s*Species\s*:\s*[0-9]\s*\((?P<x_elk_geometry_atom_labels>[-a-zA-Z0-9]+)\)", repeats = True,
      sections = ["x_elk_section_atoms_group"],
       subMatchers = [
-#    SM(r"\s*muffin-tin radius\s*:\s*(?P<x_elk_muffin_tin_radius__bohr>[-0-9.]+)"),
-#    SM(r"\s*number of radial points in muffin-tin\s*:\s*(?P<x_elk_muffin_tin_points>[-0-9.]+)"),
+    SM(r"\s*muffin-tin radius\s*:\s*(?P<x_elk_muffin_tin_radius__bohr>[-0-9.]+)", repeats = True),
+    SM(r"\s*number of radial points in muffin-tin\s*:\s*(?P<x_elk_muffin_tin_points>[-0-9.]+)", repeats = True),
    SM(startReStr = r"\s*atomic positions\s*\(lattice\)\, magnetic fields \(Cartesian\)\s*:\s*",
      subMatchers = [
        SM(r"\s*(?P<x_elk_geometry_atom_number>[+0-9]+)\s*:\s*(?P<x_elk_geometry_atom_positions_x__bohr>[-+0-9.]+)\s*(?P<x_elk_geometry_atom_positions_y__bohr>[-+0-9.]+)\s*(?P<x_elk_geometry_atom_positions_z__bohr>[-+0-9.]+)", repeats = True)