Pinned Repositories
cmake-tutorial
Hands-on exercises for a brief CMake tutorial
Fortran_C
A sandbox for experimenting on Fortran and C/C++ interoperability.
nix-cfg
NixOS and home-manager configuration files
ompybind11
Example of binding OpenMP C++ functions to Python
phlake-shack
sanitize-fortran
Examples of using GCC sanitizers with Fortran
solver
Some experiments with iterative solvers
teetee
Experiments with tensor train decomposition and algebra
robertodr's Repositories
robertodr/phlake-shack
robertodr/basis_set_exchange
A repository for quantum chemistry basis sets
robertodr/boys-annexed
robertodr/conda-forge-pinning-feedstock
A conda-smithy repository for conda-forge-pinning.
robertodr/cppe
C++ and Python library for Polarizable Embedding
robertodr/cppe-feedstock
A conda-smithy repository for cppe.
robertodr/esqc-h2
robertodr/geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
robertodr/geometric-feedstock
A conda-smithy repository for geometric.
robertodr/git-annex-feedstock
A conda-smithy repository for git-annex.
robertodr/jupyterlite
robertodr/lockless-cache
robertodr/mrchem
MultiResolution Chemistry
robertodr/mrcpp
MultiResolution Computation Program Package
robertodr/mypy-numpy
robertodr/nixpkgs
Nix Packages collection
robertodr/nur-packages
robertodr/old-dogs-old-tricks
robertodr/openconnect-sso
Wrapper script for OpenConnect supporting Azure AD (SAMLv2) authentication to Cisco SSL-VPNs
robertodr/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
robertodr/pyscf
Python module for quantum chemistry
robertodr/pyserde
Yet another serialization library on top of dataclasses, inspired by serde-rs.
robertodr/qiskit-nature
Qiskit Nature is an open-source, quantum computing, framework for solving quantum mechanical natural science problems.
robertodr/recipe
robertodr/repo2docker
Turn repositories into Jupyter-enabled Docker images
robertodr/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
robertodr/Stim
A fast stabilizer circuit library.
robertodr/vampyr
Very Accurate Multiresolution Python Routines
robertodr/veloxchem-feedstock
A conda-smithy repository for veloxchem.
robertodr/xcfun
Exchange-Correlation functionals with arbitrary order derivatives.