From 3fd07cdecaf9532ecb27b27402c31429e62ab9a4 Mon Sep 17 00:00:00 2001 From: Massimo Riello <maxoriello@Massimos-MacBook-Air.local> Date: Wed, 24 Feb 2016 17:52:57 +0000 Subject: [PATCH] update export CASTEP_COMMAND=/Users/maxoriello/CASTEP-16.1/obj/darwin_x86_64_gfortran4.9/castep.serial --- meta_info/nomad_meta_info/lammps.nomadmetainfo.json | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/meta_info/nomad_meta_info/lammps.nomadmetainfo.json b/meta_info/nomad_meta_info/lammps.nomadmetainfo.json index 452af29..52f1fdf 100644 --- a/meta_info/nomad_meta_info/lammps.nomadmetainfo.json +++ b/meta_info/nomad_meta_info/lammps.nomadmetainfo.json @@ -102,6 +102,17 @@ "superNames": [ "settings_barostat" ] + }, { + "description": "Reference to the atom type of each interaction atoms", + "dtypeStr": "r", + "name": "interaction_atoms_to_atom_type_ref", + "referencedSections": [ + "section_atom_type" + ], + "shape": [], + "superNames": [ + "settings_interaction" + ] } ] -- GitLab