uibcdf / OpenCTN-Tools

OpenCTN Tools
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Bad file format to save the trajectory of the double well potential #4

Open dprada opened 2 years ago

dprada commented 2 years ago

We are currently saving the trajectory in a UTF-8 encoded text file with four columns: time, $x$, $y$, and $z$. Not a very wise choice.

The size of trajectory with 15 microseconds saved every 10 picoseconds is ~118M. Not big if we work locally with this file on our machine. But big enough to be uploaded to this repository (There is a 100M limit per file). So... we need to work with a better file format.

dprada commented 2 years ago

The binary file as the first attempt

Why don't we store the trajectory as a binary file? If we know that each frame entry comes with four floats: time, x, y, and z. And we agree on the units: time in ns and lengths in angstroms. What would be the reduction factor in the size of the trajectory file (compared with the UTF-8 text file)?