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store grids/store basis on grid
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Topic: store grids/store basis on grid (Read 2722 times)
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Dipankar Saha
Supreme QuantumATK Wizard
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store grids/store basis on grid
«
on:
October 1, 2015, 21:43 »
Hi,
What is the purpose of making... 'store grids' "Enabled/Disabled" .....and, store basis on grid "Automatic" ??
Thanks & Regards_
Dipankar
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Anders Blom
QuantumATK Staff
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Re: store grids/store basis on grid
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Reply #1 on:
October 1, 2015, 22:02 »
Means you store some data instead of recomputing it in every self-consistent steps. Saves time, costs memory (sometimes a lot, sometimes not so much - see the log file for info). Automatic means it will be stored if it doesn't take so much memory.
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Dipankar Saha
Supreme QuantumATK Wizard
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Re: store grids/store basis on grid
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Reply #2 on:
October 1, 2015, 22:48 »
Dr. Anders Blom,
Thanks a lot for the reply...!!!
Best_
Dipankar
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store grids/store basis on grid