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Re: Unusual error in MECI optimization

Antonio Carlos Borin
antonioc.borin@gmail.com


Instead of using wstate(1)=0,0,1,1, as suggested in the thread, I´ve added the keyword  multiw=.t. to $mcaver (now it is: $mcaver jstate=4 conic=2 target=pure multiw=.t. $end)

It is working even with wstate(1)=1,1,1,1. Is it another way to solve the problem, or it is necessary to use 2 states only (wstate(1)=0,0,1,1)?

Best
Antonio


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