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DANES is broken #27

Open jjkas opened 2 months ago

jjkas commented 2 months ago

DANES produces NaN output in xmu.dat. Worked in feff9

yxrmz commented 1 month ago

I had all zeroes in my xmu.dat chi column with -O3 optimizations. With -O2 and lower things work well. Could be something similar. By the way, I'm running feff.Mn from Bugs and it works well, is there anything special I'm missing? (TBH, I had to clean the code quite a bit to compile with ifx, maybe it has something to do with types conversion too)