Generalise system properties type check

libAtoms / ExtXYZ.jl

Extended XYZ read/write support for Julia

MIT License

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Generalise system properties type check #49

Closed mfherbst closed 4 months ago

mfherbst commented 5 months ago

Currently the type checks in the AtomsBase interface are a little too strict.

Note, however, that for some reason the leading dimension needs to be 3 otherwise there is a segfault when reading back in the data (could be a bug ?).

jameskermode commented 4 months ago

Looks good, thanks!