Roberto Di Remigio Eikås's repositories
csi-quantum-chemistry
Quantum Chemistry on CoCalc
pyDFTD3
Python version of Grimme's D3-dispersion correction for Gaussian input/output
github-without-command-line
Collaborating and sharing using GitHub without command line.
robertodr
Front page
xcauto
Arbitrary order exchange-correlation functional derivatives using JAX.
fcidump
PSI4 plugin to produce FCIDUMP files
latex
Singularity recipe for LaTeX.
pandoc
Singularity recipe for Pandoc.
cmake-cookbook
Experimental collection of CMake recipes.
DPD
Repository for the FutureLearn MOOC "Defensive programming and debugging"
CoVMME
MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
xcint
Exchange-correlation integrator.
dockerfiles-1
Dockerfiles used by DockerHub.
rust-n5
Rust implementation of the N5 "Not HDF5" tensor file system format
context-api-example
Shows how to implement context-aware APIs in different languages.
firefox_decrypt
Firefox Decrypt is a tool to extract passwords from Mozilla (Firefox™, Waterfox™, Thunderbird®, SeaMonkey®) profiles
totaltrash.xyz
My website
maturin
Build and publish crates with pyo3, rust-cpython and cffi bindings as well as rust binaries as python packages
libtaylor
Automatic differentiation in C++
xtensor-python-feedstock
A conda-smithy repository for xtensor-python.
xtensor-python
Python bindings for xtensor
QCElemental
Periodic table, physical constants, and molecule parsing for quantum chemistry.
cmake-tutorial
Hands-on exercises for a brief CMake tutorial
calculator
Exercise to practice building projects with CMake.
nixos-hardware
A collection of NixOS modules covering hardware quirks.
talk-lille
Slides for talk at CNRS in Lille
xtl
The x template library