Re: [cclib-devel] Forces from gaussian job (added feature)

[Hugh Chaffey-M. <hug...@ch...>]

Dear Noel

Gaussian reports gradients in Hartrees/Bohr and Hartrees/Radian but other 
packages might not be the same. What is the policy here, should everything be 
converted to SI or what units should be used.

The code I sent you just retrieved the information directly from the Gaussian 
file so uses the same units as.

Cheers
Hugh