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fixed stupid problem in pt_charges
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parent
504d46f693
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@ -21,7 +21,7 @@ def mv_in_ezfio(ezfio,tmp):
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os.system(cmdmv)
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# Getting the EZFIO
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##Getting the EZFIO
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EZFIO=sys.argv[1]
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EZFIO=EZFIO.replace("/", "")
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print(EZFIO)
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@ -66,8 +66,20 @@ zip_in_ezfio(EZFIO,tmp)
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tmp="pts_charge_coord"
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fcoord = open(tmp,'w')
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fcoord.write(" 2\n")
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if(n_charges < 10):
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fcoord.write(" "+str(n_charges)+' 3\n')
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elif(n_charges <100):
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fcoord.write(" "+str(n_charges)+' 3\n')
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elif(n_charges <1000):
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fcoord.write(" "+str(n_charges)+' 3\n')
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elif(n_charges <10000):
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fcoord.write(" "+str(n_charges)+' 3\n')
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elif(n_charges <100000):
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fcoord.write(" "+str(n_charges)+' 3\n')
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elif(n_charges <1000000):
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fcoord.write(" "+str(n_charges)+' 3\n')
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elif(n_charges <10000000):
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fcoord.write(" "+str(n_charges)+' 3\n')
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#fcoord.write(" "+' 3 '+str(n_charges)+' \n')
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for i in range(n_charges):
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fcoord.write(' '+coord_x[i]+'\n')
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for i in range(n_charges):
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