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In geometry optimizations, which convergence method is used by the MM2?

Rich Talbot
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Product: Chem3D

Problem:

In geometry optimizations, which convergence method is used by the MM2?


Solution:

Chem3D uses the conjugate gradient (first energy derivative) method and a memoryless quasi-newton method, which essentially uses successive gradients to update an approximation to the second derivative matrix without actually storing the matrix. 

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