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evanberkowitz / two-dimensional-gasses

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Tuning HMC / integration #28

Closed evanberkowitz closed 1 year ago

evanberkowitz commented 1 year ago

Picking, for example, the number of molecular dynamics steps in a trajectory, depends on the action. It'd be good to be able to just set something going and have it discover a good number of steps for MD before going to production.

This can be done simultaneously with thermalization. We can start with a very coarse integrator and as we integrate adjust the discretization. Once we get to a good integrator we may also have a representative configuration.

evanberkowitz commented 1 year ago

A first solution was provided in #67.