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nomad-lab
nomad-meta-info
Commits
0f9d3aa7
Commit
0f9d3aa7
authored
Jun 20, 2016
by
Lauri Himanen
Browse files
New metainfo.
parent
263e6651
Changes
1
Pipelines
1
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meta_info/nomad_meta_info/cp2k.general.nomadmetainfo.json
View file @
0f9d3aa7
...
...
@@ -123,7 +123,7 @@
"name"
:
"x_cp2k_input_filename"
,
"shape"
:
[],
"superNames"
:
[
"x_cp2k_section_programinformation"
"x_cp2k_section_program
_
information"
]
},
{
"description"
:
"Maximum angular momentum of the local part of the GTH pseudopotential."
,
...
...
@@ -387,10 +387,18 @@
},
{
"description"
:
"Contains information about the software version used for this run."
,
"kindStr"
:
"type_section"
,
"name"
:
"x_cp2k_section_programinformation"
,
"name"
:
"x_cp2k_section_program
_
information"
,
"superNames"
:
[
"program_info"
]
},
{
"description"
:
"The time when this program was compiled."
,
"dtypeStr"
:
"C"
,
"name"
:
"x_cp2k_program_compilation_datetime"
,
"shape"
:
[],
"superNames"
:
[
"x_cp2k_section_program_information"
]
},
{
"description"
:
"Section for a CP2K QuickStep calculation."
,
"kindStr"
:
"type_section"
,
...
...
@@ -548,7 +556,7 @@
"name"
:
"x_cp2k_svn_revision"
,
"shape"
:
[],
"superNames"
:
[
"x_cp2k_section_programinformation"
"x_cp2k_section_program
_
information"
]
},
{
"description"
:
"The ensemble type in molecular dynamics."
,
...
...
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