From 0cb8f10f0992a13ec2f046b7d74e1403d3c1a138 Mon Sep 17 00:00:00 2001
From: Fawzi Mohamed <fawzi.mohamed@fhi-berlin.mpg.de>
Date: Thu, 24 Mar 2016 16:53:59 +0100
Subject: [PATCH] adding dmol3 meta info
---
.../nomad_meta_info/dmol3.nomadmetainfo.json | 34 +++++++++++++++++++
1 file changed, 34 insertions(+)
create mode 100644 meta_info/nomad_meta_info/dmol3.nomadmetainfo.json
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 0000000..8c711ba
--- /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"
+ ]
+ }]
+}
--
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