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FRI-Computational-Materials / haptic-device

Code for the FRI haptic device project
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Add support for file io #52

Closed grahamstockton closed 3 years ago

grahamstockton commented 3 years ago

The haptic device should be able to read in and write out different common chemical file types. Although there is a basic C++ con file reader in eon, I think it is best to interface with python and use ase.io.read here.

Default behavior should be to use ase, but it might be good to keep our own .con reading script in a .cpp file and with a --classic or --ase-off flag of some sort.

grahamstockton commented 3 years ago

Oops! duplicate of #49. Closing this one.