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This is an archived project. Repository and other project resources are read-only.
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nomad-lab
parser-elastic
Commits
2b9ee49d
"cpmdparser/parser.py" did not exist on "41dcc781aa4fe63380763e9acc100ed82b06a661"
Commit
2b9ee49d
authored
4 years ago
by
Alvin Noe Ladines
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Plain Diff
Fixed bug when files not found
parent
1c1dacfd
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Changes
2
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2 changed files
elasticparser/elastic_parser.py
+11
-0
11 additions, 0 deletions
elasticparser/elastic_parser.py
elasticparser/elastic_properties.py
+1
-1
1 addition, 1 deletion
elasticparser/elastic_properties.py
with
12 additions
and
1 deletion
elasticparser/elastic_parser.py
+
11
−
0
View file @
2b9ee49d
...
...
@@ -30,6 +30,10 @@ class ElasticParserInterface:
if
method
==
'
energy
'
:
strain
,
energy
=
self
.
properties
.
get_strain_energy
()
if
not
strain
:
self
.
logger
.
warn
(
'
Error getting strain and energy data
'
)
return
n_strains
=
self
.
properties
.
info
[
'
n_strains
'
]
sec_strain_diagram
=
sec_scc
.
m_create
(
x_elastic_section_strain_diagrams
)
...
...
@@ -45,6 +49,10 @@ class ElasticParserInterface:
'
5th
'
:
poly_fit_2
-
2
,
'
6th
'
:
poly_fit_2
-
2
,
'
7th
'
:
poly_fit_2
-
3
}
energy_fit
=
self
.
properties
.
get_energy_fit
()
if
not
energy_fit
:
self
.
logger
.
warn
(
'
Error getting energy fit data
'
)
return
for
diagram_type
in
[
'
cross-validation
'
,
'
d2e
'
]:
for
fit_order
in
energy_fit
[
diagram_type
][
0
].
keys
():
sec_strain_diagram
=
sec_scc
.
m_create
(
x_elastic_section_strain_diagrams
)
...
...
@@ -73,6 +81,9 @@ class ElasticParserInterface:
stress_fit
=
self
.
properties
.
get_stress_fit
()
for
diagram_type
in
[
'
cross-validation
'
,
'
dtn
'
]:
if
stress_fit
.
get
(
diagram_type
,
None
)
is
None
:
continue
for
si
in
range
(
6
):
for
fit_order
in
stress_fit
[
diagram_type
][
si
][
0
].
keys
():
sec_strain_diagram
=
sec_scc
.
m_create
(
x_elastic_section_strain_diagrams
)
...
...
This diff is collapsed.
Click to expand it.
elasticparser/elastic_properties.py
+
1
−
1
View file @
2b9ee49d
...
...
@@ -297,7 +297,7 @@ class ElasticProperties:
quantities
=
[
Quantity
(
'
voigt
'
,
r
'
Symmetry[\s\S]+\n\s*\n([C\d\s\n]+)\n
'
,
'
voigt
'
,
r
'
Symmetry[\s\S]+\n\s*\n([C\d\s\n
\(\)\-\+\/\*
]+)\n
'
,
str_operation
=
reshape
,
dtype
=
str
),
Quantity
(
'
elastic_constant
'
,
r
'
Elastic constant[\s\S]+in GPa\s*:\s*\n\n([\-\d\.\s\n]+)\n
'
,
...
...
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Click to expand it.
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