From 678864e1fe315a49771af49e748567df85d91e87 Mon Sep 17 00:00:00 2001 From: Arvid Ihrig Date: Thu, 25 Jan 2018 15:28:49 +0100 Subject: [PATCH] meta info for system type classification --- .../nomad_meta_info/public.nomadmetainfo.json | 19 +++++++++++++++++++ 1 file changed, 19 insertions(+) diff --git a/meta_info/nomad_meta_info/public.nomadmetainfo.json b/meta_info/nomad_meta_info/public.nomadmetainfo.json index e19992b..b1a4a99 100644 --- a/meta_info/nomad_meta_info/public.nomadmetainfo.json +++ b/meta_info/nomad_meta_info/public.nomadmetainfo.json @@ -4166,6 +4166,25 @@ "superNames": [ "section_system_to_system_refs" ] + }, { + "derived": true, + "description": "Type of the system ", + "dtypeStr": "C", + "name": "system_type", + "shape": [], + "repeats": false, + "superNames": [ + "section_system" + ], + "values": { + "Atom": "A single atom", + "Molecule / Cluster": "A system with no periodic dimensions", + "1D": "systems with one periodic dimension", + "Polymer": "systems with one periodic dimension and a minimum thickness along the other axes", + "2D": "systems with two periodic dimensions", + "Surface": "systems with two periodic dimensions and a minimum thickness along the third axis", + "Bulk": "systems with three periodic dimensions" + } }, { "description": "Method used to calculate the thermodynamic quantities.\n\nValid values:\n\n * harmonic", "dtypeStr": "C", -- GitLab