Used the last thermo step in the log file for comparison
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@ -161,9 +161,15 @@ def iterate(input_list):
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print("Quantities".ljust(width) + "Output".center(width) + "Reference".center(width) + "Absolute Diff.".center(width))
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print("Quantities".ljust(width) + "Output".center(width) + "Reference".center(width) + "Absolute Diff.".center(width))
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irun = 0
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irun = 0
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num_fields = len(thermo[irun]['keywords'])
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num_fields = len(thermo[irun]['keywords'])
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# get the total number of the thermo output lines
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nthermo_steps = len(thermo[irun]['data'])
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# get the output at thelast timestep
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thermo_step = nthermo_steps - 1
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print(f"nthermo_steps = {nthermo_steps}")
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for i in range(num_fields):
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for i in range(num_fields):
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val = thermo[irun]['data'][2][i]
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val = thermo[irun]['data'][thermo_step][i]
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ref = thermo_ref[0]['data'][2][i]
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ref = thermo_ref[0]['data'][thermo_step][i]
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diff = abs(float(val) - float(ref))
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diff = abs(float(val) - float(ref))
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print(f"{thermo[0]['keywords'][i].ljust(width)} {str(val).rjust(20)} {str(ref).rjust(20)} {str(diff).rjust(20)}")
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print(f"{thermo[0]['keywords'][i].ljust(width)} {str(val).rjust(20)} {str(ref).rjust(20)} {str(diff).rjust(20)}")
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print("-"*(4*width+3))
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print("-"*(4*width+3))
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