ForceBalance API  1.3
Automated optimization of force fields and empirical potentials
Namespaces | Functions | Variables
readfrq.py File Reference

Go to the source code of this file.

Namespaces

 src.readfrq
 

Functions

def src.readfrq.print_mode (M, mode)
 
def src.readfrq.read_frq_gau (gauout)
 
def src.readfrq.read_frq_tc (tcout, scrdir='scr')
 
def src.readfrq.read_frq_qc (qcout)
 
def src.readfrq.read_frq_psi (psiout)
 
def src.readfrq.read_frq_fb (vfnm)
 Read ForceBalance-formatted vibrational data from a vdata.txt file. More...
 
def src.readfrq.scale_freqs (arr)
 Apply harmonic vibrational scaling factors. More...
 
def src.readfrq.read_frq_gen (fout)
 
def src.readfrq.main ()
 

Variables

 src.readfrq.precision