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nomad-lab
parser-gpaw
Commits
ed1aa3c8
Commit
ed1aa3c8
authored
Jul 05, 2017
by
Ask Hjorth Larsen
Browse files
different handling of units
parent
10c1d69d
Changes
1
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Side-by-side
parser/parser-gpaw/parser2.py
View file @
ed1aa3c8
...
...
@@ -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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