Fix off-by-one error for framework indices

bjmorgan / kinisi

A Python package for estimating diffusion properties from molecular dynamics simulations.

https://kinisi.readthedocs.io

MIT License

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Fix off-by-one error for framework indices #59

Closed jd15489 closed 8 months ago

jd15489 commented 8 months ago

I should add a unit test for this issue in the future.

arm61 commented 8 months ago

Is this just a hiccup from the big refactor on the parser previously?

jd15489 commented 8 months ago

Yes, this is a bug that I introduced when I added the framework_indices keyword. This arises from most MD codes counting from 1 and python indexing from 0.