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lines changed Original file line number Diff line number Diff line change @@ -160,7 +160,11 @@ def __init__(
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"LREAL" : False ,
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"GGA" : "PE" ,
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"LCHARG" : False ,
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+ "LELF" : False ,
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"LAECHG" : False ,
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+ "LASPH" : False ,
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+ "LVHAR" : False ,
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+ "LVTOT" : False ,
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"METAGGA" : "None" ,
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"LMIXTAU" : False }
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@@ -213,17 +217,14 @@ def __init__(
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RunVaspCustodian (
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vasp_cmd = vasp_cmd ,
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auto_npar = ">>auto_npar<<" ,
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- handler_group = handler_group ,
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- gzip_output = False ,
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+ handler_group = handler_group
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)
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)
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t .append (PassCalcLocs (name = name ))
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# Parse
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t .append (VaspToDb (db_file = db_file ,
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additional_fields = {
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"task_label" : structure .composition .reduced_formula + " " + name + " " + mode }))
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- # zip the output (don't rely on custodian to do it)
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- t .append (GzipDir ())
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super ().__init__ (t , parents = parents , name = fw_name , ** kwargs )
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