HanatoK

Optimize the fit gradients

4

- Save the unrotated positions. This can avoid rotating the positions again in `calc_fit_forces_impl`; - Determine dl, dq or ds by compile-time template options; - Only call calc_fit_gradients when atom...

Feature request: reusable bias

1

It should be possible to use the bias energy, or other output components, of a `colvarbias` instance as the inputs of another `colvarbias` instance. For example, a `histogram` bias can...