ALTER keyword

Posted by Chen on September 29, 2010 at 05:27:09:

hi there,

if I use alter as:

ALTER
1 4 5
1 5 6

I do not know how does MOLCAS perform the exchange, it will exchange orbital 4 and orbital 5 first, and then exchange 5 (which is already orbital 4 now) and 6?

chen

Follow Ups:

• Re: ALTER keyword Oscar Rubio Pons 18:53:19 10/10/10 (1)
  • Re: ALTER keyword Rob Klooster 12:09:17 11/25/10 (0)

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