CFEL-CMI / richmol

Richmol is for variational simulations of molecular nuclear motion dynamics in fields
https://www.controlled-molecule-imaging.org/research/software/
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Update tutorial spectrum_101.ipynb #17

Closed yachmena closed 3 years ago

yachmena commented 3 years ago

@saribalc , could you please update spectrum_101.ipynb tutorial such that you download the h5 files for water from zenodo (and not from /etc/.. which does not exist), also plotting the spectrum in jupyter notebook. I have created a shorter version of the dipole and quadrupole file "h2o_p48_j40_emax4000_rovib.h5" in zenodo repository for water, please use them