zmatrix
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20 hours ago •
jevandezande
jevandezande
A class for conversion between zmatrices and cartesian coordinates
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Hello, I was wondering shouldn't we use atomic mass of each isotope, instead of the averaged atomic mass (eg. 12C=12 amu instead of C=12.011)? Is it because the change of...
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A class for conversion between zmatrices and cartesian coordinates