From ed1aa3c893291ed9c82c295c42f1dbc6ed489f30 Mon Sep 17 00:00:00 2001
From: Ask Hjorth Larsen <asklarsen@gmail.com>
Date: Wed, 5 Jul 2017 16:07:45 +0200
Subject: [PATCH] different handling of units
---
parser/parser-gpaw/parser2.py | 3 +--
1 file changed, 1 insertion(+), 2 deletions(-)
diff --git a/parser/parser-gpaw/parser2.py b/parser/parser-gpaw/parser2.py
index ab2ea62..8752f59 100644
--- a/parser/parser-gpaw/parser2.py
+++ b/parser/parser-gpaw/parser2.py
@@ -150,9 +150,8 @@ def parse(filename):
origin, 'angstrom')
p.addArrayValues('volumetric_data_displacements',
displacements, 'angstrom')
- p.addArrayValues('volumetric_data_values', values)
+ p.addArrayValues('volumetric_data_values', c(values, unit))
p.addValue('volumetric_data_kind', kind)
- p.addValue('volumetric_data_unit', unit)
# H.atom.ulm.gpw test can be used to verify that pseudodensity
# integrates to 0.98, corresponding closely to the norm of the
--
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