Function calc::showvibdetail

• Defined in File calc.h

Function Documentation

void calc::showvibdetail(const SystemData &sys, double T, std::ostream &out)

Display per-mode vibrational detail table.

Prints per-mode partition functions and thermodynamic contributions (ZPE, U, CV, S) for each vibrational mode. Separated from showthermo() to support future verbosity-level control.

Parameters:

• sys – SystemData with vibrational data

• T – Temperature in Kelvin

• out – Output stream (cout or file stream for .vibcon export)