| 11:08:19 AM PDT - Mon, Mar 25th 2019 |
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| The code is not setup to be able to do this in a simple way. You could potentially accomplish it by first running the propagation according to the template I provided above. This will generate density matrix files for every step you are interested in (along with cube files but you can disregard those if you are not interested in have a density difference with one of the steps in the propagation as a reference). You could then use those density matrix files to run a series of simple dplot calculations where you provide two density matrix files as input using the densmat keyword. To get the density matrix for your reference, assuming your reference is another ground state, you will probably have to run a couple step propagation with the RT module with all of the visualization keywords to generate a density matrix like you did for the full propagation before.
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