Support a list of `Xdatcar` objects

bjmorgan / kinisi

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

https://kinisi.readthedocs.io

MIT License

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Support a list of `Xdatcar` objects #3

Closed arm61 closed 3 years ago

arm61 commented 3 years ago

Currently a list of strings pointing to files that can be read by pymatgen.Xdatcar can be parsed with the dtype='IdenticalXdatcar flag. However, it would be nicer to allow the user to pre-read the files.

arm61 commented 3 years ago

Resolved as of https://github.com/bjmorgan/kinisi/commit/36eabb0a0a80ac04188ccd8649bf5eeecec57dc0