[Molpro-user] availability of integral direct open-shell MP2

Ben Shepler bcshepl at emory.edu
Fri Sep 26 00:29:33 BST 2008

Dear Molpro users,
I am a little confused about the availability of integral direct open- 
shell MP2 methods in Molpro 2008.1.  The manual states that all  
methods can be performed integral direct except (T) and FCI.   
However, when trying to run integral direct with rmp2 or ump2 I  
receive the error message:

  ? Error
  ? Sorry, no direct implementation available for UMP2/RMP2
  ? The problem occurs in UMP2

  I get the same message when running Molpro 2006, and simply assumed  
integral direct is still not available for open-shell MP2.  However,  
when I run integral direct UCCSD in Molpro 2008 it calculates the  
RMP2 energy and seems to be doing so integral direct.  Is there a way  
to call integral direct open-shell MP2 directly, or am I  
misunderstanding something?

thank you,

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