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Fix bug in generator

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This commit is contained in:
Mickaël Véril 2019-12-18 16:52:06 +01:00
parent efd791f395
commit 46ed6622e2
1 changed files with 2 additions and 2 deletions
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4
tools/lib/data.py
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@ -156,8 +156,8 @@ class dataFileBase(object):
data.method=met data.method=met
datamtbe.append(data) datamtbe.append(data)
datacls[dt]=datamtbe datacls[dt]=datamtbe
vs=[val,corr] vs=[val,corr]
uns=[unsafe,unsafecorr] uns=[unsafe,unsafecorr]
for i in range(2): for i in range(2):
datamtbe[i].excitations.append(excitationValue(firstState,finst[0],vs[i],type=finst[2],T1=T1,forces=oscilatorForces,isUnsafe=uns[i])) datamtbe[i].excitations.append(excitationValue(firstState,finst[0],vs[i],type=finst[2],T1=T1,forces=oscilatorForces,isUnsafe=uns[i]))
for value in datacls.values(): for value in datacls.values():