Commit af5b3070 authored by Alarcon Villaseca, Sebastian (sebas81)'s avatar Alarcon Villaseca, Sebastian (sebas81)
Browse files

Change meta info name for scf total energy

parent 1e2c8815
...@@ -865,7 +865,7 @@ ...@@ -865,7 +865,7 @@
"repeats": true, "repeats": true,
"shape": [], "shape": [],
"superNames": [ "superNames": [
"section_single_configuration_calculation" "section_scf_iteration"
] ]
}, { }, {
"description": "-", "description": "-",
...@@ -873,8 +873,7 @@ ...@@ -873,8 +873,7 @@
"name": "x_orca_last_energy_change", "name": "x_orca_last_energy_change",
"repeats": true, "repeats": true,
"shape": [], "shape": [],
"superNames": [ "superNames": ["section_scf_iteration"
"section_single_configuration_calculation"
] ]
}, { }, {
"description": "-", "description": "-",
...@@ -883,7 +882,7 @@ ...@@ -883,7 +882,7 @@
"repeats": true, "repeats": true,
"shape": [], "shape": [],
"superNames": [ "superNames": [
"section_single_configuration_calculation" "section_scf_iteration"
] ]
}, { }, {
"description": "-", "description": "-",
...@@ -892,7 +891,7 @@ ...@@ -892,7 +891,7 @@
"repeats": true, "repeats": true,
"shape": [], "shape": [],
"superNames": [ "superNames": [
"section_single_configuration_calculation" "section_scf_iteration"
] ]
}, { }, {
"description": "-", "description": "-",
...@@ -901,7 +900,7 @@ ...@@ -901,7 +900,7 @@
"repeats": true, "repeats": true,
"shape": [], "shape": [],
"superNames": [ "superNames": [
"section_single_configuration_calculation" "section_scf_iteration"
] ]
}, { }, {
"description": "-", "description": "-",
...@@ -910,7 +909,7 @@ ...@@ -910,7 +909,7 @@
"repeats": true, "repeats": true,
"shape": [], "shape": [],
"superNames": [ "superNames": [
"section_single_configuration_calculation" "section_scf_iteration"
] ]
}, { }, {
"description": "-", "description": "-",
...@@ -1563,7 +1562,7 @@ ...@@ -1563,7 +1562,7 @@
}, { }, {
"description": "-", "description": "-",
"dtypeStr": "f", "dtypeStr": "f",
"name": "x_orca_scf_total_energy", "name": "energy_total_scf_iteration",
"repeats": true, "repeats": true,
"shape": [], "shape": [],
"superNames": [ "superNames": [
......
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