Guillaume Fraux

Results 461 comments of Guillaume Fraux

Even better : use the gist implementation, _i.e._ a subtype of Potential. This allow for computations of forces using Verlet Lists and table lookup at the same time.

Ref : doi:10.1016/j.jcp.2009.09.028 Using piecewise polynomials

Done in 9ee0a2f8c9669a26a99ed9100b15979c774d5982, using a linear interpolation. @mcprentiss if you wants to have a look at this and use a better approximation, feels free ! The interpolation is [here](https://github.com/Luthaf/Jumos.jl/blob/546a91009d7e1e0deb7f4afbb6ab726fb67b151c/src/Simulations/MD/potentials.jl#L105-L115) and...

There is a library for doing this: http://www.scafacos.de/ This would needs to write a Julia wrapper, surely as a separated package.

Analysis should just be merged with the `Compute` types. Files analysis should be accessible with the replay capacity (#5)

With this merge, it could be great to have an averaging capacity for outputs.

I am trying to add a spell-checker for rust doc comment using the [linter-spell](https://atom.io/packages/linter-spell) package, and this would be needed to prevent spell checking of links, examples and other in...

> Now that cargo-criterion is available to handle generating charts, I think the HTML reports should become an optional feature in 0.4, probably disabled by default. All of my new-feature...

Did you had the time to implement this? The [documentation](https://dgrunwald.github.io/rust-cpython/doc/cpython/macro.py_argparse!.html) say so, and parameters with or without explicit type works. But trying to use default values gives me errors about...

This is a grip point for me because I am synchronizing my atom setting between an OS X machine and a Linux machine, and hard coded path do not play...