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fix a bug in the all zeros check in the alchemical_analysis.py #103

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Aug 15, 2017
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3 changes: 2 additions & 1 deletion alchemical_analysis/alchemical_analysis.py
Original file line number Diff line number Diff line change
Expand Up @@ -1242,7 +1242,8 @@ def main():
lchange = get_lchange(lv)

#NML: Check for all zeros in data files
all_zeros = not numpy.any(dhdlt) or not numpy.any(u_klt)
#sliu: change the all zero check to let the calculation continue if there is only dhdlt.
all_zeros = not numpy.any(dhdlt) and not numpy.any(u_klt)
if all_zeros == True:
print "WARNING: Found all 0 in input data."
zero_output(K,P)
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