Guillaume Fraux

Results 461 comments of Guillaume Fraux

I am interested in this functionality too, to provide memory view into some std::vector to the javascript side. From browsing the sources, it looks like we can not use `nbind::Buffer`...

I am not sure I understand the issue here. Do C++ destructors still run with Emscripten? Then the problem is that we don't know when to run destructors because the...

Ok, so what I need is different from `nbind::Buffer` and more like an externalized v8 `ArrayBuffer`. It could be made working with emscriten without too many issues (JS code behaving...

> because there are no propagation methods or other system changes that apply such partial wrapping. Not yet, but that what #3 is about. So we should handle it before...

Just though of an easier solution: using the **wrapped** distances from the first atom of the molecule: Because we are wrapping distances from another atom in the molecule, all wrapped...

See https://en.wikipedia.org/wiki/Center_of_mass#Systems_with_periodic_boundary_conditions for an algorithm that should always be valid

A way to do that would be to wrap the `particles` array in a `BorrowCounter` struct like ``` rust struct BorrowCounter { val: T, const_counter: usize, mut_counter: usize, } impl...

The borrow counter introduced in ad1f1db0f4e5e62e35444d5909859508ec85c699 was then removed in 6468edb1cf674758cb22b8cc9bdf41cc10c9559c, but this is still desirable to have. Thus reopening the issue. The best way I see to fix this...

> "if the pair distribution function $g(r)$ is 1 after the cutoff" what is g ? what is the rho that appears later ? FYI, g(r) is the [radial distribution...

The comparison benchmarks should not run overtime, because they will be slow. we should still make sure to run them before any release, and on a semi-regular manner too.