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conjugate gradient relaxation
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Topic: conjugate gradient relaxation (Read 2772 times)
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HIMANI
Heavy QuantumATK user
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conjugate gradient relaxation
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on:
October 7, 2015, 08:34 »
how to implement conjugate gradient relaxation in quantumwise?
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Anders Blom
QuantumATK Staff
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Re: conjugate gradient relaxation
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Reply #1 on:
October 7, 2015, 10:31 »
Have a look at
http://docs.scipy.org/doc/scipy-0.14.0/reference/optimize.html
Scipy is included with ATK
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conjugate gradient relaxation