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Georgi Krastev
nomad-meta-info
Commits
f78a90b1
Commit
f78a90b1
authored
Nov 04, 2016
by
Adriel Domínguez
Browse files
added meta info for max force component of moving atoms
parent
a64e308b
Changes
1
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meta_info/nomad_meta_info/dftb_plus.nomadmetainfo.json
View file @
f78a90b1
...
...
@@ -81,6 +81,12 @@
"superNames"
:
[
"section_single_configuration_calculation"
],
"dtypeStr"
:
"f"
,
"shape"
:
[]
},{
"description"
:
"-"
,
"name"
:
"x_dftbp_force_max_mov"
,
"superNames"
:
[
"section_single_configuration_calculation"
],
"dtypeStr"
:
"f"
,
"shape"
:
[]
},{
"description"
:
"-"
,
"name"
:
"energy_total"
,
...
...
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