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Merge branch 'master' into QUEST4

This commit is contained in:
Mickaël Véril 2020-04-30 18:22:18 +02:00
commit 7196d37f72
2 changed files with 6 additions and 5 deletions

View File

@ -731,13 +731,13 @@ draft: false
<th scope="col">Count</th>
<th scope="col">Min</th>
<th scope="col">Max</th>
<th scope="col">MSE</th>
<th scope="col">MAE</th>
<th scope="col"><abbr title="Mean signed error">MSE</abbr></th>
<th scope="col"><abbr title="Mean absolute error">MAE</abbr></th>
<th scope="col">Median</th>
<th scope="col">Absolute Median</th>
<th scope="col">RMS</th>
<th scope="col"><abbr title="Root-mean square error ">RMSE</abbr></th>
<th scope="col">Variance</th>
<th scope="col">Standard deviation</th>
<th scope="col"><abbr title="Standard deviation of the errors">SDE</abbr></th>
</thead>
<tbody>
</tbody>

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@ -7,6 +7,7 @@ from enum import IntEnum,auto,unique,IntFlag
from .Format import Format
import re
import numpy as np
import json
class state:
def __init__(self,number, multiplicity, symetry):
@ -360,7 +361,7 @@ class dataFileBase(object):
str(ex.value) if ex.value is not None else "_",
str(ex.T1) if ex.T1 is not None else "_",
str(ex.oscilatorForces) if ex.oscilatorForces is not None else "_",
str(ex.isUnsafe).lower())
json.dumps(ex.isUnsafe))
f.write(mystr)
class method:
def __init__(self,name, *args):