Is extraction of dipole moments from real-time TDDFT a Python command?


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Forum Vet
Thanks a lot for your explanation.

If commands nw_rtparse.py -xdipole -px -tkick_x h2o_abs.nwo > x.dat, nw_rtparse.py -xdipole -py -tkick_y h2o_abs.nwo > y.dat, and nw_rtparse.py -xdipole -pz -tkick_z h2o_abs.nwo > z.dat are typed in the bash, the following error message appears although the directory of contrib/parsers is entered:
nw_rtparse.py: command not found