Convert units in read_input_data

PHOTOX / promdens

Promoted Density Approach for sampling initial conditions for trajectory-based nonadiabatic photodynamics.

https://github.com/PHOTOX/promdens

MIT License

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Convert units in read_input_data #11

Closed danielhollas closed 2 months ago

danielhollas commented 2 months ago

Minor refactor. I think it makes more sense to convert units automatically right after the data are read in. That way programmer cannot screw this up and we can delete a bunch of checks.

Marking as draft, we'll merge after release.