[molpro-user] limits on the number of records

[Kirk Peterson]

Ramon,

I believe you can just increase mxrectr in common/cpar (first problem) 
and mxstsy in common/cstate (2nd problem) and recompile.  Our local 
version has these set to 20 and 16, respectively.

-Kirk

On May 12, 2004, at 9:46 AM, Dr. Ramon Hernandez Lamoneda wrote:

>
>  Hi,
>
>  I am doing some spin-orbit calculations and I find
>  that in the input line:
>
>  hlsmat,ecp,record1,record2, ....
>
>  there seems to be a limit of 10 possible records(if
>  I give more the records above 10 get overwritten in
>  the first records as shown in the output). Different
>  records are required for the different spin and spatial
>  symmetries of the ci vectors so it seems to me that 10
>  records would be a big limitation for many calculations ...
>
>  Is this a real limitation or am I missing something ?
>
>  I found a similar 'symmetry related' limitation when doing
>  state-average calculations with Multi and again one cannot
>  average more than 10 states of different spin-spatial
>  symmetries .....
>
>  Are these limitations indicated anywhere in the manual ?
>
>  Thank you for your time
>
>  Ramon
>
>
>