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Fix bug

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This commit is contained in:
Mickaël Véril 2019-12-12 10:11:34 +01:00
parent 1b6094d7f7
commit 39ad0ab933
1 changed files with 4 additions and 5 deletions
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9
tools/lib/data.py
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@ -2,8 +2,7 @@ from collections import OrderedDict
from enum import IntEnum,auto,unique,IntFlag
from .Format import Format
import re
import numpy as np
import itertools
import numpy as npss
class state:
def __init__(self,number, multiplicity, symetry):
@ -87,7 +86,7 @@ class dataFileBase(object):
data.excitations.append(excitationValue(firstState,finst[0],val,type=finst[2]))
for datamtbe in datacls.values():
datalist.append(datamtbe)
return list(itertools.chain.from_iterable(datalist))
return datalist
elif format==Format.COLUMN:
subtablesindex=list()
firstindex=2
@ -151,7 +150,6 @@ class dataFileBase(object):
datamtbe=[]
for met in mymethod:
data=cl()
datamtbe.append(cl())
data.molecule=mymolecule
data.method=met
datamtbe.append(data)
@ -160,7 +158,8 @@ class dataFileBase(object):
for i in range(2):
datamtbe[i].excitations.append(excitationValue(firstState,finst[0],vs[i],type=finst[2],T1=T1,forces=oscilatorForces))
for value in datacls.values():
datalist.append(value)
for dat in value:
datalist.append(dat)
return datalist
def getMetadata(self):