Runtype

General discussion of the Cambridge quantum Monte Carlo code CASINO; how to install and setup; how to use it; what it does; applications.
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elaheh
Posts: 10
Joined: Mon Jun 03, 2013 10:24 am

Runtype

Post by elaheh »

My question is about the difference between runtype "opt_vmc" and "vmc_opt". Would you please describe a little about the physics of "opt_vmc" and when is better to use this option. I looked at the casinohelp but I need more information.

Best regards,

Elaheh.
Mike Towler
Posts: 239
Joined: Thu May 30, 2013 11:03 pm
Location: Florence
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Re: Runtype

Post by Mike Towler »

Hi Elaheh,

To quote the relevant bit of 'casinohelp runtype' output:

'vmc_opt' (perform VMC and optimization, alternately);
'opt_vmc' (perform optimization and VMC, alternately);

Perhaps for clarity that should read 'perform opt_cycles cycles of VMC and optimization, alternately' etc.

Each optimization phase requires you to have generated some VMC configs first (which will be in a 'config.in' file), and this is why vmc_opt is the normal option.

The 'opt_vmc' exists merely for the case where you have already generated the VMC config file. It's not really a question of 'physics'.

Best wishes,
Mike
elaheh
Posts: 10
Joined: Mon Jun 03, 2013 10:24 am

Re: Runtype

Post by elaheh »

Hi Mike,

Thanks!

Best regards,

Elaheh.
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