From 9be703a69590b34f60fef86aa59e6622c8ae4e26 Mon Sep 17 00:00:00 2001
From: Lauri Himanen <lauri.himanen@gmail.com>
Date: Thu, 7 May 2020 13:35:19 +0300
Subject: [PATCH] Better handling of missing basis set settings.
---
nomad/normalizing/encyclopedia/basisset.py | 14 +++++++-------
1 file changed, 7 insertions(+), 7 deletions(-)
diff --git a/nomad/normalizing/encyclopedia/basisset.py b/nomad/normalizing/encyclopedia/basisset.py
index 4b47063dfc..2e615c97e0 100644
--- a/nomad/normalizing/encyclopedia/basisset.py
+++ b/nomad/normalizing/encyclopedia/basisset.py
@@ -168,33 +168,33 @@ class BasisSetExciting(BasisSet):
label = group.x_exciting_geometry_atom_labels
try:
muffin_tin_settings["{}_muffin_tin_radius".format(label)] = "%.6f" % (group.x_exciting_muffin_tin_radius.to(ureg.angstrom).magnitude)
- except KeyError:
+ except Exception:
muffin_tin_settings["{}_muffin_tin_radius".format(label)] = None
try:
muffin_tin_settings["{}_muffin_tin_points".format(label)] = "%d" % group.x_exciting_muffin_tin_points
- except KeyError:
+ except Exception:
muffin_tin_settings["{}_muffin_tin_points".format(label)] = None
self.settings["muffin_tin_settings"] = muffin_tin_settings
- except KeyError:
+ except Exception:
pass
# Other important method settings
system = self._ctx.representative_system
try:
self.settings['rgkmax'] = "%.6f" % (system.x_exciting_rgkmax.magnitude)
- except KeyError:
+ except Exception:
pass
try:
self.settings['gkmax'] = "%.6f" % (1e-10 * system.x_exciting_gkmax.magnitude)
- except KeyError:
+ except Exception:
pass
try:
self.settings['lo'] = "%d" % (system.x_exciting_lo)
- except KeyError:
+ except Exception:
pass
try:
self.settings['lmaxapw'] = "%d" % (system.x_exciting_lmaxapw)
- except KeyError:
+ except Exception:
pass
return self.settings
--
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