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nomad-lab
parser-asap
Commits
e17356d8
Commit
e17356d8
authored
Oct 13, 2016
by
Mikkel Strange
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mistake
parent
3cda70e2
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parser/parser-asap/parser_asap.py
parser/parser-asap/parser_asap.py
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parser/parser-asap/parser_asap.py
View file @
e17356d8
...
@@ -56,7 +56,7 @@ def parse(filename):
...
@@ -56,7 +56,7 @@ def parse(filename):
if
hasattr
(
t
,
'ase_version'
):
if
hasattr
(
t
,
'ase_version'
):
aversion
=
t
.
ase_version
aversion
=
t
.
ase_version
else
:
else
:
aversion
=
3
# default Asap version
aversion
=
'3'
# default Asap version
p
.
addValue
(
'program_version'
,
aversion
)
p
.
addValue
(
'program_version'
,
aversion
)
with
o
(
p
,
'section_topology'
):
with
o
(
p
,
'section_topology'
):
p
.
addValue
(
'topology_force_field_name'
,
'EMT'
)
p
.
addValue
(
'topology_force_field_name'
,
'EMT'
)
...
...
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