Commit d49a2f82 authored by Martina Stella's avatar Martina Stella
Browse files

Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info

parents 6d5d9425 304e4908
......@@ -382,7 +382,7 @@
"kindStr": "type_section",
"name": "x_cp2k_section_maximum_angular_momentum",
"superNames": [
"section_run"
"x_cp2k_section_quickstep_settings"
]
}, {
"description": "Contains information about the software version used for this run.",
......@@ -466,7 +466,7 @@
"kindStr": "type_section",
"name": "x_cp2k_section_total_numbers",
"superNames": [
"section_run"
"x_cp2k_section_quickstep_settings"
]
}, {
"description": "The number of shell sets in the calculation.",
......@@ -1167,6 +1167,14 @@
"superNames": [
"x_cp2k_section_quickstep_settings"
]
}, {
"description": "The method used for the Quickstep calculations (GPW, GAPW).",
"dtypeStr": "C",
"name": "x_cp2k_quickstep_method",
"shape": [],
"superNames": [
"x_cp2k_section_quickstep_settings"
]
}, {
"description": "Number of requested time steps in molecular dynamics.",
"dtypeStr": "i",
......
......@@ -46447,7 +46447,7 @@
"x_cp2k_section_CP2K_INPUT"
]
}, {
"description": "The section containing all information that is explicitly stated in the CP2K input file. The sections that control printing (PRINT, EACH) and the hidden input keywords starting with a double underscore are not included.",
"description": "This section contains the explicitly stated keywords, default keywords, and section parameters in the CP2K input file. Only some of the sections that control printing (PRINT, EACH) are supported, because including all of them would double the size of this metadata without adding much useful information. The hidden input keywords starting with a double underscore are not included.",
"kindStr": "type_section",
"name": "x_cp2k_section_CP2K_INPUT",
"superNames": [
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