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Re^3: Large CI calculations with Firefly

Alex Granovsky
gran@classic.chem.msu.su


Dear Evgeniy,

As to GUGA CSFs-based code, I think currently the limit is ca. 50 millions of CSFs

As to determinant-based code, this link provides a good example of what can be done.

Kind regards,
Alex Granovsky



On Tue Sep 1 '15 2:34pm, Evge wrote
-----------------------------------
>Thanks, Alex! Just one more question, what is approximately the largest size of CSFs
>that is possible for CI/MCSCF calculations with the present 32-bit version of Firefly?

>Best regards,
>Evgeniy

>On Tue Sep 1 '15 0:26am, Alex Granovsky wrote
>---------------------------------------------
>>On Mon Aug 31 '15 12:08pm, Evge wrote
>>-------------------------------------
>>>Dear Users and Developers of Firefly,

>>>I wonder how good is the CI engine in Firefly?
>>>Can one perform LARGE CI calculations, let's say, of the size 500 000 000 CSFs?
>>>Many thanks!

>>>Best regards,
>>>Evgeniy

>>Dear Evgeniy,

>>Current Firefly is 32-bit code and this limits CI code.

>>Kind regards,
>>Alex Granovsky
>>
>>
>>
>>


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