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nomad-lab
parser-gpaw
Commits
85ff1ea7
Commit
85ff1ea7
authored
Jul 12, 2017
by
Mikkel Strange
Browse files
Update parser2.py
parent
a32953ee
Changes
1
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Side-by-side
parser/parser-gpaw/parser2.py
View file @
85ff1ea7
...
...
@@ -163,7 +163,6 @@ def parse(filename):
add_3d_array
(
r
.
hamiltonian
.
potential
,
kind
=
'potential_effective'
,
unit
=
'eV*angstrom**(-3)'
)
if
'forces'
in
r
.
results
:
p
.
addArrayValues
(
'atom_forces_free_raw'
,
c
(
r
.
results
.
forces
,
'eV/angstrom'
))
...
...
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