Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
P
parser-lammps
Manage
Activity
Members
Code
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Deploy
Releases
Model registry
Analyze
Contributor analytics
Repository analytics
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
This is an archived project. Repository and other project resources are read-only.
Show more breadcrumbs
nomad-lab
parser-lammps
Commits
261655c3
Commit
261655c3
authored
4 years ago
by
Alvin Noe Ladines
Browse files
Options
Downloads
Patches
Plain Diff
Removed parser interface
parent
5ddcb8cf
No related branches found
No related tags found
No related merge requests found
Changes
1
Show whitespace changes
Inline
Side-by-side
Showing
1 changed file
lammpsparser/lammps_parser.py
+6
-21
6 additions, 21 deletions
lammpsparser/lammps_parser.py
with
6 additions
and
21 deletions
lammpsparser/lammps_parser.py
+
6
−
21
View file @
261655c3
...
@@ -507,8 +507,13 @@ class LogParser(TextParser):
...
@@ -507,8 +507,13 @@ class LogParser(TextParser):
return
styles_coeffs
return
styles_coeffs
class
LammpsParser
Interface
:
class
LammpsParser
(
FairdiParser
)
:
def
__init__
(
self
):
def
__init__
(
self
):
super
().
__init__
(
name
=
'
parsers/lammps
'
,
code_name
=
'
LAMMPS
'
,
code_homepage
=
'
https://lammps.sandia.gov/
'
,
domain
=
'
dft
'
,
mainfile_contents_re
=
r
'
^LAMMPS
'
)
self
.
_metainfo_env
=
m_env
self
.
log_parser
=
LogParser
()
self
.
log_parser
=
LogParser
()
self
.
traj_parser
=
TrajParser
()
self
.
traj_parser
=
TrajParser
()
self
.
data_parser
=
DataParser
()
self
.
data_parser
=
DataParser
()
...
@@ -765,23 +770,3 @@ class LammpsParserInterface:
...
@@ -765,23 +770,3 @@ class LammpsParserInterface:
sec_md
.
finished_normally
=
self
.
log_parser
.
get
(
'
finished
'
)
is
not
None
sec_md
.
finished_normally
=
self
.
log_parser
.
get
(
'
finished
'
)
is
not
None
sec_md
.
with_trajectory
=
self
.
traj_parser
.
with_trajectory
()
sec_md
.
with_trajectory
=
self
.
traj_parser
.
with_trajectory
()
sec_md
.
with_thermodynamics
=
self
.
log_parser
.
get
(
'
thermo_data
'
)
is
not
None
sec_md
.
with_thermodynamics
=
self
.
log_parser
.
get
(
'
thermo_data
'
)
is
not
None
class
LammpsParser
(
FairdiParser
):
def
__init__
(
self
):
super
().
__init__
(
name
=
'
parsers/lammps
'
,
code_name
=
'
LAMMPS
'
,
code_homepage
=
'
https://lammps.sandia.gov/
'
,
domain
=
'
dft
'
,
mainfile_contents_re
=
r
'
^LAMMPS
'
)
self
.
_metainfo_env
=
m_env
self
.
parser
=
None
def
parse
(
self
,
filepath
,
archive
,
logger
):
parser
=
LammpsParserInterface
()
if
self
.
parser
is
not
None
:
parser
.
reuse_parser
(
self
.
parser
)
else
:
self
.
parser
=
parser
parser
.
parse
(
filepath
,
archive
,
logger
)
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment