Now, the program reads directly the rotational temperatures to avoid errors in quasi-linear molecules (see new example CuCN.out). In that examples, gaussian output writes ** instead a number for the largest rotational constant and the program did not work. Now, Goodvibes reads the rotational temperature (linear molecules) or temperatures (3D molecules) and calculates the rotional entropy from them.
Now, the program reads directly the rotational temperatures to avoid errors in quasi-linear molecules (see new example CuCN.out). In that examples, gaussian output writes ** instead a number for the largest rotational constant and the program did not work. Now, Goodvibes reads the rotational temperature (linear molecules) or temperatures (3D molecules) and calculates the rotional entropy from them.