diff --git a/meta_info/nomad_meta_info/cp2k.nomadmetainfo.json b/meta_info/nomad_meta_info/cp2k.nomadmetainfo.json index 7a7ecea916d89dff263a14ebd4bbda95499b312f..6ffdbc4ca5441a6240924a130fc8da8c8d3514e5 100644 --- a/meta_info/nomad_meta_info/cp2k.nomadmetainfo.json +++ b/meta_info/nomad_meta_info/cp2k.nomadmetainfo.json @@ -11,7 +11,7 @@ "name": "cp2k_section_dbcsr", "kindStr": "type_section", "superNames": [ - "section_run" + "settings_run" ] }, { "description": "Contains information about the starting conditions for this run.", @@ -51,35 +51,12 @@ "superNames": [ "cp2k_section_programinformation" ] - }, { - "description": "Information about the cell used in the simulation.", - "kindStr": "type_section", - "name": "cp2k_section_cell", - "superNames": [ - "section_run" - ] - }, { - "description": "-", - "kindStr": "type_section", - "name": "cp2k_section_functional", - "superNames": [ - "section_run" - ] - }, { - "description": "-", - "dtypeStr": "C", - "repeats": true, - "name": "cp2k_functional_name", - "shape": [], - "superNames": [ - "cp2k_section_functional" - ] }, { "description": "The total number of different entities in the calculation.", "kindStr": "type_section", "name": "cp2k_section_total_numbers", "superNames": [ - "section_run" + "section_system_description" ] }, { "description": "The number of shell sets in the calculation.", @@ -89,13 +66,6 @@ "superNames": [ "cp2k_section_total_numbers" ] - }, { - "description": "Information about the atoms in a Quickstep calculation.", - "kindStr": "type_section", - "name": "cp2k_section_quickstep_atom_information", - "superNames": [ - "section_run" - ] }, { "description": "Section grouping together the quantities calculated during an MD.", "kindStr": "type_section",