PCM in version 5.4

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Posted by Mariusz Radon on February 14, 2006 at 11:54:04:

Hello,

Is implementation of PCM model correct in version 5.4? In 2003 there was a discussion about incorrect implementation of Kirkwood model, but what about PCM?

I know that PCM implementation was removed from version 5.4, but it is actually present in the source code, just being protected from execution by call to exit function at the begining. So I removed this "protection", recompiled MOLCAS and PCM seems to work fine. Will the results be correct?

Thanks in advance,
Mariusz

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