HanatoK

> My main concern is, all Colvars functionality relies on there being a single instance of the module. Removing static pointers would also require adding a different kind of check...

> Mostly for I/O: if multiple instances were allowed, each would need its own set of input and output files. But this is what the derived classes of `colvarproxy` should...

> Hey @HanatoK , the code looks good to me! I don't have a chance to test just at the moment, but I've seen your benchmark results. I assume you...

> @HanatoK We don't currently have a CI job with Intel, but that compiler uses `restrict` (as well as PGI pre-NVIDIA). See the following from the LAMMPS headers: https://github.com/lammps/lammps/blob/59bbc5bcc1104bdb4fb45107cd65b5d4d76dbc00/src/lmptype.h#L342-L348 Thanks!...

I think it is better to document how the fit gradients are computed so I tried my best to improve the doxygen documentation in 2d353eb. I know the SI of...