Commit 2375d54b authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
Browse files

fixing public meta

parent f78a90b1
......@@ -1598,6 +1598,19 @@
"settings_geometry_optimization"
],
"units": "N"
}, {
"description": "The matrix with the second derivative with respect to atom displacements",
"dtypeStr": "f",
"name": "hessian",
"shape": [
"number_of_atoms",
"number_of_atoms",
3,
3
],
"superNames": [
"section_single_configuration_calculation"
]
}, {
"derived": true,
"description": "If the normalized path is along the default path defined in Setyawan, W. & Curtarolo, S. High-throughput electronic band structure calculations: Challenges and tools. Comput. Mater. Sci. 49, 299",
......@@ -2285,6 +2298,17 @@
"superNames": [
"section_sampling_method"
]
}, {
"description": "The matrix that tranforms the unitcell into the suprecell in which the actual calculation is performed",
"dtypeStr": "i",
"name": "SC_matrix",
"shape": [
3,
3
],
"superNames": [
"section_system"
]
}, {
"description": "Information on the self-consistent field (SCF) procedure.",
"kindStr": "type_abstract_document_content",
......@@ -3222,21 +3246,5 @@
"superNames": [
"settings_XC"
]
}, {
"description": "The matrix with the second derivative with respect to atom displacements",
"name": "hessian",
"dtypeStr": "f",
"shape": ["number_of_atoms", "number_of_atoms", 3, 3]
"superNames": [
"section_single_configuration_calculation"
]
}, {
"description": "The matrix that tranforms the unitcell into the suprecell in which the actual calculation is performed"
"name": "SC_matrix"
"dtypeStr": "int"
"shape": [3,3]
"superNames": [
"section_system"
]
}]
}
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