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- #! /usr/bin/env python
- import subprocess, re, os, time, random
- from glob import *
- transdats = ['x_trans.dat', 'y_trans.dat', 'z_trans.dat']
- print ("k(Hartree/Ang^2) nu(cm-1) ZPVE(cm-1) for translations")
- for dat in transdats:
- subprocess.call("python3 harmonic_fit.py " + dat, shell = True)
- rotdat = ['z_phi.dat', 'y_theta.dat']
- for dat in rotdat:
- if ('y_theta' in dat):
- subprocess.call("python3 harmonic_fit_rot.py " + dat, shell = True)
- if ('z_phi' in dat):
- subprocess.call("python3 harmonic_fit_rot_phi.py " + dat, shell = True)
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