Mikael Lund
Mikael Lund
> #122 also seems relevant > > I'm interested in the answer for use with `nalgebra` Same here; there is an open issue over at `nalgebra` regarding combining it with...
I have the same issue with anaconda installed clang9 on macos 10.14.6: ``` clang version 9.0.0 (tags/RELEASE_900/final) Target: x86_64-apple-darwin18.7.0 ```
ping @Smutekj
mdtraj uses an HDF5 trajectory format that I suspect could be expanded with charges: - http://mdtraj.org/1.9.3/hdf5_format.html. - c++ library: https://github.com/BlueBrain/HighFive - c++17 library: https://github.com/DavidAce/h5pp
Serialization libraries: - https://github.com/USCiLab/cereal (easy POD to binary) - https://github.com/felixguendling/cista
Related to #242
For mapping 3d array onto single set, see pairing function here: https://stackoverflow.com/questions/919612/mapping-two-integers-to-one-in-a-unique-and-deterministic-way
Todo: - [x] document dipole-dipole galore in `docs/_docs/energy.md` - [x] self energies? - [ ] reduce number of particles / box size in stockmayer example. Examples should quickly converge and...
Eigen now seems to have experimental tensor support: http://eigen.tuxfamily.org/index.php?title=Tensor_support
Sounds great!