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nomad-lab
nomad-meta-info
Commits
54e8687c
Commit
54e8687c
authored
Mar 14, 2016
by
Lauri Himanen
Browse files
Added metainfo for filenames.
parent
54b225da
Changes
1
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meta_info/nomad_meta_info/cp2k.nomadmetainfo.json
View file @
54e8687c
...
...
@@ -51,6 +51,61 @@
"superNames"
:
[
"cp2k_section_programinformation"
]
},
{
"description"
:
"Information about the ancillary files that are taken as input or that are output by this calculation."
,
"kindStr"
:
"type_section"
,
"name"
:
"cp2k_section_filenames"
,
"superNames"
:
[
"section_run"
]
},
{
"description"
:
"The name of the CP2K input file that produced this calculation."
,
"dtypeStr"
:
"C"
,
"name"
:
"cp2k_input_filename"
,
"shape"
:
[],
"superNames"
:
[
"cp2k_section_filenames"
]
},
{
"description"
:
"The name of the basis set file."
,
"dtypeStr"
:
"C"
,
"name"
:
"cp2k_basis_set_filename"
,
"shape"
:
[],
"superNames"
:
[
"cp2k_section_filenames"
]
},
{
"description"
:
"The name of the geminal file."
,
"dtypeStr"
:
"C"
,
"name"
:
"cp2k_geminal_filename"
,
"shape"
:
[],
"superNames"
:
[
"cp2k_section_filenames"
]
},
{
"description"
:
"The name of the potential file."
,
"dtypeStr"
:
"C"
,
"name"
:
"cp2k_potential_filename"
,
"shape"
:
[],
"superNames"
:
[
"cp2k_section_filenames"
]
},
{
"description"
:
"The name of the MM potential file."
,
"dtypeStr"
:
"C"
,
"name"
:
"cp2k_mm_potential_filename"
,
"shape"
:
[],
"superNames"
:
[
"cp2k_section_filenames"
]
},
{
"description"
:
"The name of the coordinate file."
,
"dtypeStr"
:
"C"
,
"name"
:
"cp2k_coordinate_filename"
,
"shape"
:
[],
"superNames"
:
[
"cp2k_section_filenames"
]
},
{
"description"
:
"The total number of different entities in the calculation."
,
"kindStr"
:
"type_section"
,
...
...
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