Leandro Martínez

Yes, there are workarounds like that. But it is annoying that one cannot use "select -> middle click" to copy/paste. But I was told that changing that would be complicated....

Just a guess: perhaps it is possible to write the one-based indexing at the wrapper level using Julia `views`. A view of an offset vector which is 0-based is 1-based:...

Actually what I meant was in the sense as doing everything 1-based for the Julia user, just by wrapping the input of the julia user through a view. For instance,...

We could create types for the data structures with new names, and define de functions for these new types, for example: ``` struct JuliaFrame frame :: Chemfiles.Frame end Atom( frame...

This can be reproduces even with linear fits, and the result is clearly wrong. ```julia using LsqFit x = collect(1:10); y = copy(x); @. model(x,p) = p[1]*x + p[2] p0...

I fixed the example of the linear fit (there was a `p0` missing), and I still get similar results. The expected outcome would be that the intercept is on -5...

To implement a new restraint type, there must an addition to the comprest.f90 file, where the function value relative to the constraints are computed. Also, after implementing the function and...

I think the easiest solution is to parse the error on the script. For example, this script does return an error code different from zero if the `ERROR` keyword was...

It will in all errors that I handled manually (input type errors, etc). I will make that check ASAP, and update the package accordingly if there is any place where...

Checked now, and "ERROR:" is everywhere where an improper input or output is found. In unpredictable cases you will get the program to crash and then the error flag will...