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how to use old calculation file to specify the initial spin
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Topic: how to use old calculation file to specify the initial spin (Read 2805 times)
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njuxyh
QuantumATK Guru
Posts: 163
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how to use old calculation file to specify the initial spin
«
on:
June 15, 2014, 19:20 »
Hi all:
i want to know, how to use old calculation file to specify the initial spin?
what is the file format? or just old calculation * py file or *.nc file?
thanks very much!
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Mehboob
Regular QuantumATK user
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Re: how to use old calculation file to specify the initial spin
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Reply #1 on:
June 16, 2014, 07:32 »
While preparing for the input just select the use old calculation (in initial spin section) and specify the full path and file name of the .nc file of the previous job done (from which you want to take the initial spin).
Regards,
Mehboob
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how to use old calculation file to specify the initial spin