Search Results for "quantum espresso gui"

AvogadroLibs is the core C++ library behind Avogadro 2, an open-source molecular editor and visualization platform used in chemistry, materials science, and education. It provides the essential tools for constructing, analyzing, and visualizing molecular structures in 2D and 3D. Designed for extensibility, AvogadroLibs supports plugins for quantum chemistry computations, molecular mechanics, and surface rendering. It interfaces with multiple chemistry formats and data sources, making it a...

GoldBug is a decentralized & secure communication suite that offers an integrated e-mail client, an instant messenger & a file transfer. Also included is an URL-RSS-DB & a p2p web search. Current vers. w/ McEliece Algorithm. GoldBug has been 2013 - 2023 ten years just another Graphical User Interface of the Spot-On Encryption Suite. Main GUI features: Minimal & colorful Interface with Tabs in the East. Microsoft & Qt MinGW deprecated Win32 & for Compiling: ●...

ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation : http://alamode.readthedocs.io/en/latest/ git repository : https://github.com/ttadano/alamode

A mechanical coupled QM/MM approach developed in C++. The current software is compatible with VASP, TB, Xmd, Paradyn, LAMMPS and Quantum Espresso.

SimQubit is a GUI quantum circuit simulator, written on top of the Q++ (sourceforge.net/projects/qplusplus) quantum templates. It allows editing of quantum circuits and applying them to quantum states, with multiple ways to view the output probabilities.