Commit 156798f1 authored by Ihrig, Arvid Conrad (ari)'s avatar Ihrig, Arvid Conrad (ari)
Browse files

Turbomole: information about invoked subprogram

parent 6c8a57b3
......@@ -7,6 +7,14 @@
"relativePath": "meta_types.nomadmetainfo.json"
}],
"metaInfos": [ {
"description": "The name of the Turbomole module used for this single configuration calculation.",
"dtypeStr": "C",
"name": "x_turbomole_module",
"shape": [],
"superNames": [
"section_single_configuration_calculation"
]
}, {
"description": "CC2 total energies",
"dtypeStr": "f",
"name": "x_turbomole_CC2_total_energy_final",
......
Supports Markdown
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