diff --git a/custom-analytics-example/custom-analytics-example-dev.bkr b/custom-analytics-example/custom-analytics-example-dev.bkr
index f7b32e44c9138d639d6b68cc1e0f44eca726ec56..d7ab295411c4fe449cac41f45ccd648d92e7998c 100644
--- a/custom-analytics-example/custom-analytics-example-dev.bkr
+++ b/custom-analytics-example/custom-analytics-example-dev.bkr
@@ -75,7 +75,7 @@
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@@ -100,7 +100,7 @@
" ",
" <sup>1</sup> Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, D-14195 Berlin, Germany <br>",
" <sup>2</sup> Engineering Laboratory, University of Cambridge, Trumpington Street, Cambridge CB2 1PZ, UK",
- " <span class=\"nomad--last-updated\" data-version=\"v1.0.2\">[Last updated: January 30, 2018]</span>",
+ " <span class=\"nomad--last-updated\" data-version=\"v1.0.3\">[Last updated: January 31, 2018]</span>",
" </p>",
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],
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+ "object": "<script>\nvar beaker = bkHelper.getBeakerObject().beakerObj;\n</script>\n<div class=\"nomad--header\">\n <h2>NOMAD Analytics Toolkit</h2>\n <h3>On-the-fly data analysis for the NOMAD Archive</h3>\n <p class=\"nomad--description\">\n created by:\n <a href=\"mailto:ziletti@fhi-berlin.mpg.de\">Angelo Ziletti</a><sup> 1</sup>,\n Carl Poelking<sup>2</sup>, \n Fawzi Mohamed<sup>1</sup>, \n Gábor Csányi<sup>2</sup>, \n and Luca Ghiringhelli<sup>1</sup> <br><br>\n \n <sup>1</sup> Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, D-14195 Berlin, Germany <br>\n <sup>2</sup> Engineering Laboratory, University of Cambridge, Trumpington Street, Cambridge CB2 1PZ, UK\n <span class=\"nomad--last-updated\" data-version=\"v1.0.3\">[Last updated: January 31, 2018]</span>\n </p>\n</div>"
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" ",
" # calculate pointgroup on-the-fly",
" # use pointgroup as target for molecules",
- " #try:",
- " point_group_symbol = SpacegroupAnalyzer(AseAtomsAdaptor.get_structure(atoms), symprec=0.001).get_point_group_symbol()",
- " #except:",
- " # point_group_symbol = None",
+ " try:",
+ " point_group_symbol = SpacegroupAnalyzer(AseAtomsAdaptor.get_structure(atoms), symprec=0.001).get_point_group_symbol()",
+ " except:",
+ " point_group_symbol = None",
" ",
" atoms.info['point_group_symbol'] = point_group_symbol",
" atoms.info['target'] = point_group_symbol",
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},
{
"type": "out",
- "value": "[Kernel] 120 121 \n"
+ "value": "[Kernel] 122 123 \n"
},
{
"type": "out",
- "value": "[Kernel] 121 121 \n"
+ "value": "[Kernel] 123 123 \n"
}
]
},
@@ -18632,8 +18645,8 @@
"state": {},
"selectedType": "Hidden",
"pluginName": "IPython",
- "shellId": "2ED595F8DAE142AD8F34EA76B35AF4BA",
- "elapsedTime": 3870,
+ "shellId": "D5752A60AFB9499DB4D1BB94FAE902A8",
+ "elapsedTime": 3846,
"height": 88
},
"evaluatorReader": true,
@@ -18823,8 +18836,8 @@
"state": {},
"selectedType": "Hidden",
"pluginName": "IPython",
- "shellId": "2ED595F8DAE142AD8F34EA76B35AF4BA",
- "elapsedTime": 370,
+ "shellId": "D5752A60AFB9499DB4D1BB94FAE902A8",
+ "elapsedTime": 348,
"height": 88
},
"evaluatorReader": true,
@@ -18908,8 +18921,8 @@
"state": {},
"selectedType": "Results",
"pluginName": "IPython",
- "shellId": "2ED595F8DAE142AD8F34EA76B35AF4BA",
- "elapsedTime": 5296,
+ "shellId": "D5752A60AFB9499DB4D1BB94FAE902A8",
+ "elapsedTime": 1553,
"height": 185
},
"evaluatorReader": true,
@@ -18932,7 +18945,7 @@
"state": {},
"selectedType": "BeakerDisplay",
"pluginName": "JavaScript",
- "elapsedTime": 14,
+ "elapsedTime": 17,
"height": 88
},
"evaluatorReader": true,
@@ -18958,7 +18971,7 @@
"state": {},
"selectedType": "BeakerDisplay",
"elapsedTime": 0,
- "height": 245,
+ "height": 246,
"result": {
"type": "BeakerDisplay",
"innertype": "Html",
@@ -18973,7 +18986,7 @@
"namespace": {
"options": {
"query": {
- "query_name": "VASP",
+ "query_name": "c100",
"max_nb_res": "25"
},
"run": {
@@ -19083,8 +19096,7 @@
}
}
},
- "viewer_result": "4a842900a713ed5b",
+ "viewer_result": "34a44510a67c43d8",
"last_query_name": "Crystal-C"
- },
- "locked": true
+ }
}