Search Results for "open-shell" - Page 3

:awsum: You lost the game.

A graph presentation and manipulation tool for the "CPM construction" quantum graphical calculus.

Infrared frequency scaling of MOPAC2009 .aux files.

Datagam is a tool for extracting data from output or punch files produced by GAMESS(US) or FireFly (old name PC GAMESS) packages. Mac GUI wrapper also available. Upstream version of the project goes to the launchpad. Only final versions of the source code and compiled binars will be available from this domain.

A C/C++ library for Cavity Quantum Electrodynamics Simulations. CQEDSimulator is a framework that provides all basic mathematical elements and methods to perform quantum numerical simulations. It's crossplatform, that works on Windows, Linux, Mac...

Gaussian extract is a bash script extracting several informations from Gaussian(R) .log files.

Package quantum-octave is a set of GNU Octave functions for simulating quantum computers.

QNC is a Environment for developing quantum computer simulations.

🔭 Quantum Cosmology & Astrophysics Unified Suite (QCAUS) v1.0 "Exploring the quantum nature of the universe — from dark matter solitons to quantum-corrected cosmology." A unified computational framework integrating 9 physics pipelines across 8 interconnected open-source projects. QCAUS enables real-time interactive exploration of fuzzy dark matter, photon–dark photon entanglement, magnetar QED, primordial quantum cosmology, and stealth dark-leakage detection — all in a single Streamlit application. 🚀 Launch Live App https://huggingface.co/spaces/QCAUS/QCAUS Tony E. Ford | tlcagford@gmail.com | Dual License: Academic & Commercial Academic / Non-Commercial Use: - Free for research, education, and personal projects - Attribution required: "Quantum Cosmology & Astrophysics Unified Suite (QCAUS)-v1.0 by Tony E. ...