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error in property calculation like transpath
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Topic: error in property calculation like transpath (Read 3883 times)
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Sabyasachi Sen
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error in property calculation like transpath
«
on:
June 19, 2018, 13:41 »
I attach herewith a .py file for transpath calculation and error I got while running the job (.log file).
Kind, suggest how to improve.
Similar error is also observed in DoS run.
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Petr Khomyakov
QuantumATK Staff
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Re: error in property calculation like transpath
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Reply #1 on:
June 19, 2018, 15:03 »
Which version of ATK did you use to get "c6h6-fe-c6h6-fm-new1-013.nc"?
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Sabyasachi Sen
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Re: error in property calculation like transpath
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Reply #2 on:
June 20, 2018, 06:41 »
ATK 2013 version is used for that calculation.
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Petr Khomyakov
QuantumATK Staff
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Re: error in property calculation like transpath
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Reply #3 on:
June 20, 2018, 11:04 »
Please send all that information (including the script, log and nc file, as well as the license information for ATK-2013 and 2017.12 you are using) to quantumatk-support@synopsys.com.
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error in property calculation like transpath