output files are now named .eam.alloy
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@ -121,7 +121,7 @@ def main():
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sys.exit("".join([output, valid]))
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sys.exit("".join([output, valid]))
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ntypes = len(atnames)
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ntypes = len(atnames)
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outfilename = "".join([*atnames, ".set"])
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outfilename = "".join([*atnames, ".eam.alloy"])
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rhor = {}
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rhor = {}
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Fr = {}
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Fr = {}
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