HvD: Further to check in r25650: The problem showed up in a Full-CI calculation on Be using the 6-31g* basis set. I think the method used was inherently unsafe.
HvD: Further to check in r25650: The problem showed up in a Full-CI calculation
on Be using the 6-31g* basis set. I think the method used was inherently unsafe.

E.g. if for some reasons two coefficients are identical, say
vec1=(sqrt(0.5),sqrt(0.5)) and vec2=(sqrt(0.5),-sqrt(0.5)) then how do you
decide which vector goes where if you are trying to base the ordering on the
maximum absolute value of the coefficients? 





rangsimanketkaew/NWChem