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TeamOverkill / md

Molecular Dynamics
MIT License
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Save output and trajectory to file #10

Open vaspelin opened 6 years ago

vaspelin commented 6 years ago

Some output needs to be saved to file, for example energies. The trajectory also needs to be save to file every n steps to spare the computer from having to memorise huge amounts of data.

Also an option to specify a custom name for the outputed trajectory file.

Create some kind of output handler to structure the code.

slaymuel commented 5 years ago

Should be saved in the io.h class