Commit 13e8554a authored by Mikkel Strange's avatar Mikkel Strange

version is not available in asap output

parent 81ebe435
......@@ -25,7 +25,7 @@ def c(value, unit=None):
parser_info = {"name": "parser_asap", "version": "1.0"}
path = '../../../../nomad-meta-info/meta_info/nomad_meta_info/' +\
metaInfoPath = os.path.normpath(
os.path.join(os.path.dirname(os.path.abspath(__file__)), path))
......@@ -43,7 +43,7 @@ def parse(filename):
with o(p, 'section_run'):
p.addValue('program_name', 'ASAP')
p.addValue('program_version', '1.0.0')
p.addValue('program_version', 'unknown')
with o(p, 'section_topology'):
p.addValue('topology_force_field_name', 'EMT')
with o(p, 'section_constraint'):
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment