From 6e23c6d0f2a00255e786f8be4528d3841b65ec97 Mon Sep 17 00:00:00 2001
From: lopa <pardini@physik.hu-berlin.de>
Date: Tue, 24 Jan 2017 23:15:52 +0100
Subject: [PATCH] fixed small bug with muffin tin
---
parser/parser-elk/parser_elk.py | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/parser/parser-elk/parser_elk.py b/parser/parser-elk/parser_elk.py
index fddfbd9..17411f9 100644
--- 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)
--
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