Skip to content
GitLab
Projects
Groups
Snippets
/
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
Georgi Krastev
nomad-meta-info
Commits
d1e1e10b
Commit
d1e1e10b
authored
Jan 16, 2017
by
Bieniek, Bjoern (biebj)
Browse files
Added total energy per atom.
parent
6c70ed9b
Changes
1
Hide whitespace changes
Inline
Side-by-side
meta_info/nomad_meta_info/atomic_data.nomadmetainfo.json
View file @
d1e1e10b
...
...
@@ -59,6 +59,17 @@
],
"units"
:
"J"
},
{
"description"
:
"Total energy per atom."
,
"dtypeStr"
:
"f"
,
"name"
:
"atomic_total_energy"
,
"shape"
:
[],
"shortname"
:
"E_Tot"
,
"superNames"
:
[
"section_atomic_property"
],
"units"
:
"J"
},
{
"description"
:
"The element symbol in the periodic table."
,
"dtypeStr"
:
"C"
,
...
...
Write
Preview
Supports
Markdown
0%
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment