Commit a95faea0 authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Fixed issues with crystal metainfo.

parent c1e50e09
......@@ -1328,14 +1328,6 @@
"superNames": [
"x_crystal_section_header"
]
}, {
"description": "Major version number of Crystal.",
"dtypeStr": "C",
"name": "x_crystal_header_version",
"shape": [],
"superNames": [
"x_crystal_section_header"
]
}, {
"description": "Convergence seettings, on power of 10 (e.g. CONVERGENCE ON DELTAP 10**-16)",
"dtypeStr": "f",
......@@ -4454,7 +4446,7 @@
"kindStr": "type_section",
"name": "x_crystal_section_input",
"shape": [],
"superNames": []
"superNames": ["section_run"]
}, {
"description": "Mode",
"kindStr": "type_section",
......@@ -5501,6 +5493,54 @@
"superNames": [
"x_crystal_section_wavefunctions_atom"
]
}, {
"description": "Pointgroup number name.",
"dtypeStr": "C",
"name": "x_crystal_pointgroup",
"shape": [],
"superNames": [
"section_system"
]
}, {
"description": "Pointgroup number.",
"dtypeStr": "i",
"name": "x_crystal_pointgroup_number",
"shape": [],
"superNames": [
"section_system"
]
}, {
"description": "Pointgroup number 2.",
"dtypeStr": "i",
"name": "x_crystal_pointgroup_number2",
"shape": [],
"superNames": [
"section_system"
]
}, {
"description": "Spacegroup corresponding to the pointgroup.",
"dtypeStr": "i",
"name": "x_crystal_pointgroup_corresponding_spacegroup",
"shape": [],
"superNames": [
"section_system"
]
}, {
"description": "Input TOLDEE",
"dtypeStr": "i",
"name": "x_crystal_input_toldee",
"shape": [],
"superNames": [
"x_crystal_section_input"
]
}, {
"description": "TOLDEE info",
"dtypeStr": "f",
"name": "x_crystal_info_toldee",
"shape": [],
"superNames": [
"x_crystal_section_info"
]
}, {
"description": "ZNUC SCFIT TOTAL HF ENERGY KINETIC ENERGY VIRIAL THEOREM ACCURACY. 11.0 12 -1.616362095E+02 1.622491907E+02 -1.996221977E+00 2.6E-06",
"dtypeStr": "f",
......
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