raman activity to intensity bug
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baoilleach
There is a bug in the routine that convert the Raman activity to Raman intensity.
In the "activity_to_intensity" function, the value of c is given as 299792458 in units of m/s,
however, the vibrational frequencies are given in cm-1, the value of c should be
29979245800 in units of cm/s.
I hope that you could provide the corrected binary version for the Window platform at your earliest convenience.
Thank you for your attention.