Commit bb1672d2 authored by Rosendo Valero Montero's avatar Rosendo Valero Montero
Browse files

Separate sections for element labels and geometry

parent 777ae81b
......@@ -12,7 +12,7 @@
"name": "gaussian_atom_label",
"shape": [],
"superNames": [
"gaussian_section_geometry"
"gaussian_section_labels"
]
}, {
"description": "x coordinate for the atoms",
......@@ -66,6 +66,13 @@
"settings_run",
"parallelization_info"
]
}, {
"description": "section that contains charge, multiplicity and system element labels",
"kindStr": "type_section",
"name": "gaussian_section_labels",
"superNames": [
"section_system_description"
]
}, {
"description": "section that contains the Cartesian coordinates of the system",
"kindStr": "type_section",
......
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