foeroyingur
Most of my work is on GitLab (https://gitlab.com/foeroyingur).
Technical University of Denmark (DTU)Kgs. Lyngby, Denmark
Pinned Repositories
CPMD
The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
CPMD
The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
echem
eChem: Jupyter book on theoretical chemistry
spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
pFUnit
Parallel Fortran Unit Testing Framework
json-fortran
A Modern Fortran JSON API
basis_set_exchange
A repository for quantum chemistry basis sets
openrsp
OpenRSP: open-ended response theory.
spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
foeroyingur's Repositories
foeroyingur/CPMD
The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
foeroyingur/echem
eChem: Jupyter book on theoretical chemistry
foeroyingur/spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.