Stress Tensor Semi-empirical Methods

[Jack Evans]

Dear Users,

I have been recently investigating the calculation of stress tensors using 
PM6.

Upon completing a debug run it has become apparent that there is a mismatch 
between the numerical and the analytical values calculated. The error has 
been recreated on the regtest input for Al2O3, as attached.

I assume this is because the analytical solution for the stress has yet to 
be implemented for SE methods? Or is there another issue at fault here.

Thank you again for your help,

Jack


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