Commit 9581e658 authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Added information about the restarted quantities.

parent 8943b891
......@@ -109,6 +109,30 @@
"x_cp2k_section_scf_iteration"
],
"units": "J"
}, {
"description": "Contains restart information for this calculation.",
"kindStr": "type_section",
"name": "x_cp2k_section_restart_information",
"superNames": [
"section_run"
]
}, {
"description": "Name of the restart file.",
"dtypeStr": "C",
"name": "x_cp2k_restart_file_name",
"shape": [],
"superNames": [
"x_cp2k_section_restart_information"
]
}, {
"description": "Name of a restarted quantity.",
"dtypeStr": "C",
"name": "x_cp2k_restarted_quantity_name",
"repeats": true,
"shape": [],
"superNames": [
"x_cp2k_section_restart_information"
]
}, {
"description": "The name of the geminal file.",
"dtypeStr": "C",
......@@ -846,6 +870,14 @@
"superNames": [
"x_cp2k_section_md_step"
]
}, {
"description": "Step number.",
"dtypeStr": "i",
"name": "x_cp2k_md_step_number",
"shape": [],
"superNames": [
"x_cp2k_section_md_step"
]
}, {
"description": "Simulation time for this step.",
"dtypeStr": "f",
......
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