Commit 4e057808 authored by Emre Ahmetcik's avatar Emre Ahmetcik
Browse files

small changes

parent ee236822
...@@ -418,7 +418,6 @@ ...@@ -418,7 +418,6 @@
"evaluator": "IPython", "evaluator": "IPython",
"input": { "input": {
"body": [ "body": [
"import h5py",
"from nomad_sim.nomad_structures import NOMADStructure", "from nomad_sim.nomad_structures import NOMADStructure",
"", "",
"nomad_structure_list = [NOMADStructure(in_file=json_path, file_format='NOMAD', take_first='False') for json_path in json_list]", "nomad_structure_list = [NOMADStructure(in_file=json_path, file_format='NOMAD', take_first='False') for json_path in json_list]",
...@@ -440,7 +439,7 @@ ...@@ -440,7 +439,7 @@
"height": 237 "height": 237
}, },
"evaluatorReader": true, "evaluatorReader": true,
"lineCount": 12, "lineCount": 11,
"tags": "nomad_structure_list" "tags": "nomad_structure_list"
}, },
{ {
...@@ -558,6 +557,22 @@ ...@@ -558,6 +557,22 @@
"lineCount": 19, "lineCount": 19,
"tags": "get_energy_diffs" "tags": "get_energy_diffs"
}, },
{
"id": "codexaiFel",
"type": "code",
"evaluator": "IPython",
"input": {
"body": [
"P_df = get_energy_diffs(nomad_structure_list)",
"print P_df"
]
},
"output": {
"state": {}
},
"evaluatorReader": true,
"lineCount": 2
},
{ {
"id": "markdownOBfktj", "id": "markdownOBfktj",
"type": "markdown", "type": "markdown",
......
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