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  • Ghemical: Molecular modelling - Message forums

    Discussion forums: Open Discussion

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    Geometry Optimization Method
    Submitted by Dr. David Ambrosek; posted on Tuesday, September 29, 2009
    I have looked around to find the method that Ghemical uses to do a "simple" geometry optimization but havent found anything yet. Can someone tell me which gradient method is used to optimized the structures, and how it fairs with semi-empirical methods. - Thanks -



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    Geometry Optimization Method
    Submitted by Dr. David Ambrosek; posted on Tuesday, September 29, 2009
    I have looked around to find the method that Ghemical uses to do a "simple" geometry optimization but havent found anything yet. Can someone tell me which gradient method is used to optimized the structures, and how it fairs with semi-empirical methods. - Thanks -

     

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