friedc's repositories
AtomicOrbitals
A python module implementing accurate Hartree-Fock Slater orbitals for atoms under spherical symmetry.
docker-gamess
Deployment of the General Atomic and Molecular Electronic Structure System (GAMESS) quantum chemistry code via a Docker container.
ESP32-Web-Bluetooth
Simple example project using ESP32, Web Bluetooth
fortran.tmbundle
TextMate support for Fortran
FpDebug
Dynamic Program Analysis based on Valgrind to find Floating-Point Accuracy Problems
language-fortran
Syntax highlighting for FORTRAN for atom
lapack
LAPACK development repository
libxc-tests
LIBXC inputs and validation files for GAMESS testing
linguist
Language Savant. If your repository's language is being reported incorrectly, send us a pull request!
MEAD_2.2.9
A copy of MEAD v. 2.2.9 (Macroscopic Electrostatics with Atomic Detail) by Donald Bashford (released by the author under GPL v.1)
molgw
Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
Multi-FED-FCD
Implementation of FED, FCD and the Multi-FED-FCD Scheme using PySCF
NPY-for-Fortran-barebone
A FORTRAN module to write Numpy's *.npy and *.npz files (barebone)
pyefd
Python implementation of "Elliptic Fourier Features of a Closed Contour"
pyWannier90
A Wannier90 python interface for PySCF
simint-generator
Code generator for simint vectorized integrals