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GAMESS issue tracking
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NPREO option in $SCF not working properly #23

Open ghost opened 4 years ago

ghost commented 4 years ago

Running latest GAMESS binary package for macOS Catalina.

I'm writing an intro book about using GAMESS. As I was looking for ways to improve the readability of the output LOG file, I've learned to use the NPREO key for the $SCF card, because the full printout of MOs can be (way) too long!

Alas, I found out that the NPREO function will only work for a RHF run. For ROHF or UHF, the full set of MOs will always be printed.