diff --git a/meta_info/nomad_meta_info/dmol3.nomadmetainfo.json b/meta_info/nomad_meta_info/dmol3.nomadmetainfo.json new file mode 100644 index 0000000000000000000000000000000000000000..8c711babc6b7398d7c585d1271cb4d8e57709a68 --- /dev/null +++ b/meta_info/nomad_meta_info/dmol3.nomadmetainfo.json @@ -0,0 +1,34 @@ +{ + "type": "nomad_meta_info_1_0", + "description": "meta info used by the gaussian parser, all names are expected to start with gaussian", + "dependencies": [ { + "relativePath": "common.nomadmetainfo.json" + }, { + "relativePath": "meta_types.nomadmetainfo.json" + }], + "metaInfos": [ { + "description": "dmol compilation date", + "dtypeStr": "C", + "name": "dmol3_functional_name", + "shape": [], + "superNames": [ + "section_method" + ] + }, { + "description": "dmol3 compilation date", + "dtypeStr": "C", + "name": "dmol3_program_compilation_date", + "shape": [], + "superNames": [ + "section_run" + ] + }, { + "description": "dmol compilation date", + "dtypeStr": "C", + "name": "dmol3_program_compilation_time", + "shape": [], + "superNames": [ + "section_run" + ] + }] +}