Guillaume Fraux

Results 464 comments of Guillaume Fraux

> But I also tend to agree with Felix - if we can redirect output, we can leave out one level of complexity? I don't know how `ostream_redirect` works. Can...

Another thing to consider is the unconditional use of "-Werror": upon the release of a new compiler, or when using a different one, this can prevent users from building rascal,...

See also this: https://stackoverflow.com/a/10471626/3041318, related to the need for https://github.com/cosmo-epfl/librascal/blob/9554260e0728f3ca9201d56aeb8408ff6aa72360/CMakeLists.txt#L108

Ran into this again, while trying to compile the code on a CentOS 7 container while testing #266. I get the following error due to -Weff-c++ and -Werror interaction. ```...

If the module is VERY large, and a lot of users don't touch it by default, it might make sense to skip importing it to save on `import` time. But...

I am not sure we want to unify `math::DBL_FTOL` and the tests `TOLERANCE`. One is for internal use inside librascal implementation, the others are test-specific tolerances. Different tests already use...

Is their anything to do here, or can we close this issue ?

There are indeed atoms overlapping here =/. The structure comes from a CIF file that contained disorder information and partial occupancy data, leading to multiple atoms at the same position...

Since the units could be different, I think a warning is good. If anything else, it should help diagnose bad structures, and can be ignored if you want to.

Very good idea :+1: I would also take the occasion to cleanup the examples, and maybe reduce their number. For example, I think the `playground.cc`, `test_sph_harm_poles.cc` and maybe others files...