Skip to content
GitLab
Menu
Projects
Groups
Snippets
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
On Thursday, 7th July from 1 to 3 pm there will be a maintenance with a short downtime of GitLab.
Open sidebar
nomad-lab
nomad-FAIR
Commits
12e10172
Commit
12e10172
authored
May 09, 2021
by
Alvin Noe Ladines
Browse files
Implemented basic mopac parser
parent
4acaf73a
Pipeline
#101134
passed with stages
in 34 minutes and 59 seconds
Changes
2
Pipelines
1
Hide whitespace changes
Inline
Side-by-side
mopac
@
aa9150d1
Compare
b8c77180
...
aa9150d1
Subproject commit
b8c77180798d399cbf5e1b242187ce8230b041c3
Subproject commit
aa9150d1b6e3cfdba640dc44b7a413455738e40f
nomad/parsing/parsers.py
View file @
12e10172
...
...
@@ -62,6 +62,7 @@ from gamessparser import GamessParser
from
gromosparser
import
GromosParser
from
gulpparser
import
GulpParser
from
molcasparser
import
MolcasParser
from
mopacparser
import
MopacParser
try
:
# these packages are not available without parsing extra, which is ok, if the
...
...
@@ -244,12 +245,7 @@ parsers = [
DFTBPlusParser
(),
AsapParser
(),
FploParser
(),
LegacyParser
(
name
=
'parsers/mopac'
,
code_name
=
'MOPAC'
,
domain
=
'dft'
,
parser_class_name
=
'mopacparser.MopacParser'
,
mainfile_contents_re
=
r
'\s*\*\*\s*MOPAC\s*([0-9a-zA-Z]*)\s*\*\*\s*'
,
mainfile_mime_re
=
r
'text/.*'
,
),
MopacParser
(),
ArchiveParser
()
]
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment