Changing parameters

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Posts: 22
Joined: 15 Dec 2013, 22:25
First name(s): Angelo
Middle name(s): Domenico
Last name(s): Quartarolo
Affiliation: High School
Country: Italy

Changing parameters

Post by quartarolo » 20 Jan 2014, 22:20

Dear All,
after installing the Dalton2013, I needed to increase the maxorbs parameter in the amfi module. I simply re-ran make from the build directory. Is it the correct procedure? Now the calculation stops without any error message at this point:
>>> Time used in DIPLEN is 1.10 seconds
>>> Time used in QUADRUP is 2.69 seconds
>>> Time used in KINENE is 2.52 seconds

Best regards


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