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Wrote some comment
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@ -121,6 +121,17 @@ def main(args):
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print("Parameters: %f %f %f %f" % tuple(parameters))
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if args.is_graph_plot:
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bulk_modulus.plot_bulk_modulus().show()
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# These lines commented out are to print E-V points on the curve fitted.
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# def eos(v):
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# params = bulk_modulus._bulk_modulus.get_parameters()
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# _eos = bulk_modulus._bulk_modulus.get_eos()
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# return _eos(v, *params)
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# print("E-V values")
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# for v in volumes:
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# print(v, eos(v))
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sys.exit(0)
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########################
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