I have an input file that uses the angle_hybrid command to define 2 different types of angle potentials (harmonic and a modified angle potential). I store the energy of the modified potential in a new variable apart from eangle. I’d like to use the thermo command to print the total energy for each angle potential separately.
Is this possible with a custom Thermo::compute_XXXXX function?
So far I’ve tried to use a command like the following but it only seems to point to the first of the two angle hybrid styles.
double tmp = force->angle->stacking_energy;