[molpro-user] CIS calcul

[Merabti karim]

	hi,

	

	

	

	I tried to do as you

	

	told me with 'molpro2010.1.nightly':

	

	{cis -4

	eomprint, ciprint = 1}

	

	but it appears to me that

	

	"INPUT ERROR: INVALID KEY=CIPRINT

	

	VALID KEYS:   DAVIDSON   
DIAGONAL      PSPACE    
HEFF     RESIDUUM      LOCEOM   POPUL
         INTERMED"

	

	?


	

	Thank you,

	Karim

	

	

	

	

	

	

	Le Mer 11 d?cembre 2013 20:54, Tatiana Korona a ?crit :

	

	

	

	> Hi,

	

	

	

	>

	

	

	

	>

	

	

	

	> I made an additional option to print of all coefficients.

	

	

	

	> You need to do

	

	

	

	>

	

	

	

	>

	

	

	

	> {cis,-2.1,-3.2

	

	

	

	> eomprint,ciprint=1 }

	

	

	

	>

	

	

	

	>

	

	

	

	> Best wishes,

	

	

	

	>

	

	

	

	>

	

	

	

	> Tatiana

	

	

	

	>

	

	

	

	>

	

	

	?


	

	 

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