Skip to content

Commit

Permalink
Fix program section
Browse files Browse the repository at this point in the history
  • Loading branch information
JosePizarro3 committed Sep 27, 2024
1 parent 090ad36 commit fa5c30a
Showing 1 changed file with 1 addition and 6 deletions.
7 changes: 1 addition & 6 deletions src/nomad_parser_vasp/parsers/parser.py
Original file line number Diff line number Diff line change
Expand Up @@ -35,10 +35,7 @@ def parse(

# Adding Simulation to data
simulation = Simulation()
simulation.program = Program(
name='Wannier90',
version=self.wout_parser.get('version', ''),
)
simulation.program = Program(name='VASP')
archive.data = simulation

# ModelSystem
Expand All @@ -56,6 +53,4 @@ def parse(
# Workflow section
workflow = SinglePoint()
workflow.normalize(archive=archive, logger=logger)
print('DFT')
print(workflow)
archive.workflow2 = workflow

1 comment on commit fa5c30a

@github-actions
Copy link

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Coverage

Coverage Report
FileStmtsMissCoverMissing
src/nomad_parser_vasp/parsers
   __init__.py9278%20–22
   parser.py311842%7–10, 31–56
src/nomad_parser_vasp/schema_packages
   __init__.py8275%9–11
   schema_package.py18180%1–38
TOTAL664039% 

Tests Skipped Failures Errors Time
1 0 💤 0 ❌ 0 🔥 12.706s ⏱️

Please sign in to comment.