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Python training for business analysts and traders
The guide to online assessments and interviews
State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
C library for finding and handling crystal symmetries
Quantum chemistry program executor and IO standardizer (QCSchema).
A bot which monitors immoscout24 and wg-gesucht.de for new flat offers and send requests to offers automatically.
OpenMS is a collection of multiscale solvers for coupled Maxwell-Schrödinger equations in Open quantum environments.
Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
Combining Psi4 and Numpy for education and development.
DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
a workflow to do constant potential thermodynamic integration in VASP
Many-Body Perturbation solvers for Green project
A library for the evaluation of molecular integrals of the generalized relativistic pseudopotential operator over Gaussian functions
A Python package for wave function-based quantum embedding
A cross-platform command-line tool to convert images into ascii art and print them on the console. Now supports braille art!
A Wannier90 python interface for VASP and PySCF
ab-initio nonadiabatic molecular dynamics program
VASP - Localized Orbital Locator + Electron Localizability Indicator
Extracts atomic the magnetic moment vectors from the OUTCAR from a noncollinear VASP calculation and inserts them into a VESTA file for visualisation. Need to provide the OUTCAR and a vesta file co…
Implementation of "Lieb-response" inversion in psi4
An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calc…
Matplotlib style sheets to nicely format figures for scientific papers, thesis and presentations while keeping them fully editable in Adobe Illustrator.