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D1: add a scaling factor to all potentials #34

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bettinakeller opened this issue May 28, 2024 · 0 comments
Open
3 tasks

D1: add a scaling factor to all potentials #34

bettinakeller opened this issue May 28, 2024 · 0 comments

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@bettinakeller
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We would like the option to change the relative weights of the potentials in a combined potential. Example applications are free-energy perturbation

$$\lambda V_1(x) + (1-\lambda)V_2$$

or optimal control

$$ V_1(x) + \lambda(t) kx$$

I think, the best way to implement this is to add a scaling factor $\lambda$ to each potential class whose default value is 1.

  • document in manual
  • implement in potentials/D1.py
  • update benchmarks for the D1 potentials / test
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