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Merge branch 'master' into QUEST4
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commit
7196d37f72
@ -731,13 +731,13 @@ draft: false
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<th scope="col">Count</th>
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<th scope="col">Min</th>
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<th scope="col">Max</th>
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<th scope="col">MSE</th>
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<th scope="col">MAE</th>
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<th scope="col"><abbr title="Mean signed error">MSE</abbr></th>
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<th scope="col"><abbr title="Mean absolute error">MAE</abbr></th>
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<th scope="col">Median</th>
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<th scope="col">Absolute Median</th>
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<th scope="col">RMS</th>
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<th scope="col"><abbr title="Root-mean square error ">RMSE</abbr></th>
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<th scope="col">Variance</th>
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<th scope="col">Standard deviation</th>
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<th scope="col"><abbr title="Standard deviation of the errors">SDE</abbr></th>
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</thead>
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<tbody>
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</tbody>
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@ -7,6 +7,7 @@ from enum import IntEnum,auto,unique,IntFlag
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from .Format import Format
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import re
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import numpy as np
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import json
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class state:
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def __init__(self,number, multiplicity, symetry):
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@ -360,7 +361,7 @@ class dataFileBase(object):
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str(ex.value) if ex.value is not None else "_",
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str(ex.T1) if ex.T1 is not None else "_",
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str(ex.oscilatorForces) if ex.oscilatorForces is not None else "_",
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str(ex.isUnsafe).lower())
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json.dumps(ex.isUnsafe))
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f.write(mystr)
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class method:
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def __init__(self,name, *args):
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