Giacomo Fiorin

I didn't look closely at that job, but in many cases it is spiff that segfaults when the differences are too big... :-/ I'm okay with turning those biases into...

@jhenin Indeed #487 is making the change, replacing the `append` flag with a `keep_open` flag where possible. You may have also seen [this](https://matsci.org/t/colvars-resseting-the-count-history-halfway-through-the-run/45350?u=giacomo.fiorin). At this point, this issue has been...

@jhenin I addressed your comment, feel free to look again but do keep in mind that this is still a draft. Before finishing it, I would like to eliminate the...

> A very good change! I'm unsure that it solves all the problems that were raised in #667 though: the case of a missing file, grompp vs. mdrun? It wouldn't....

I edited the description to reflect your suggestion, but I'm not sure I understand why. If we can't use `std::filesystem::exists()` and you propose instead to try open a file to...

@akohlmey After further testing, the changes seem to work okay for me. However, given that the LAMMPS Summer 2023 stable release is due this week, it seems easier to not...

@jhenin I have reconsidered switching from deriving the class template to instantiating an object of it. Replacing the many existing member functions with wrappers around the instantiated object would be...

Closed by #487

Thanks, I agree with @jhenin that it's instructive to at least look at what other people opt to do when thinking about parsers. From the KDL README: > **Have you...

Thanks for the thoughts! Clearly there are major benefits in being able to use Python, whichever computational protocol one wants to use, whether physics-based or data-based. Here, a small but...