Stars
Library to allow calling fortran code from python
Flexible & extensible object oriented Fortran unit testing framework for serial, MPI-parallel and coarray-parallel projects
A way to bypass using temporary variables to read nml data into members of derived types.
A proof-of-concept workflow for torch-based electron density learning
Kokkos C++ Performance Portability Programming Ecosystem: The Programming Model - Parallel Execution and Memory Abstraction
Fast and simple filesystem and path manipulation library. OS, compiler, platform agnostic. Interfaces for C, C++, and Fortran.
AddressSanitizer, ThreadSanitizer, MemorySanitizer
ogpf is Object based interface to GnuPlot from Fortran 2003, 2008 and later
C++ Programming Tutorial in Chemistry
testcode is a python module for testing for regression errors in numerical (principally scientific) software.
Domain specific library for electronic structure calculations
The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable platform for their research
The Sternheimer-GW code is a computational package for calculating and visualizing the dielectric and quasiparticle properties of materials.
ShellCheck, a static analysis tool for shell scripts
A parallel application binary interface for Fortran 2018 compilers.
Fortran Language Server for the Language Server Protocol
An easy to follow library to make Fortran easier in general with wrapped interfaces, sorting routines, kD-Trees, and other algorithms to handle scientific data and concepts. The library contains co…
Curated list of known efforts in materials informatics, i.e. in modern materials science