[molpro-user] dropping virtual orbitals in CC

Kirk Peterson kipeters at wsu.edu
Mon May 2 16:43:09 CEST 2016


Dear Libor,

sorry, there is no way to drop virtuals in molpro.

best,

Kirk

> On May 1, 2016, at 7:00 AM, Libor Veis <libor.veis at jh-inst.cas.cz> wrote:
> 
> Dear Molpro users,
> 
> is there a way to drop the highest virtual orbitals in conventional coupled cluster computations?
> 
> Thanks in advance!
> 
> Best,
> Libor_______________________________________________
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