cmelab / polybinder

Initialization of thermoplastic polymer systems to simulate thermal welding
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Fix target box and initial box lengths by dividing by ref distance #11

Closed chrisjonesBSU closed 3 years ago

chrisjonesBSU commented 3 years ago

The density of the final systems always seemed way too low; I realized it was because I was not dividing the calculated final box length by the reference units when telling hoomd what to shrink the box lengths down to.

This creates two new Simulation class variables, one for the reduced target box length and one for the reduced initial box length.