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"
+ ]
}
]
--
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