Search Results for "quantum espresso gui"
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Showing 13 open source projects for "quantum espresso gui"
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Avogadro 2
Avogadro libraries provide 3D rendering, visualization, and analysis
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... -
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GoldBug - Encrypted Communications
Chat Messenger. E-Mail-Client. Websearch. Filetransfer.
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: ●... -
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ALAMODE
Ab initio simulator for thermal transport and lattice anharmonicity
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 -
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pyrpl
PyRPL turns your Red Pitaya into a powerful analog feedback device.
The Red Pitaya is a commercial, affordable FPGA board with fast analog inputs and outputs. This makes it useful for quantum optics experiments, in particular as a digital feedback controller for analog systems. Based on the open source software provided by the board manufacturer, PyRPL (Python RedPitaya Lockbox) implements many devices that are needed for optics experiments with the Red Pitaya. PyRPL implements various digital signal processing (DSP) modules (see features below). ... -
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CIF2Cell
Generating cells for electronic structure calculations from CIF files
...The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published in Computer Physics Communications 182 (2011) 1183–1186. Please cite generously. -
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C-Tools
Input file preparation tool for DFT codes
This application can produce input files of various applications for density functional theory (DFT) calculations via user-friendly parameter adjustment using three-dimensional computer graphics (3DCG) and graphical user interfaces (GUI). Input-file conversion between different applications is also possible. Now C-Tools supports the three file formats for DFT codes, xTAPP, OpenMX, RSDFT, VASP and Quantum ESPRESSO(PWscf). -
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The CCP1GUI
An extensible GUI for computational chemistry codes
The CCP1GUI project aims to develop a free, extensible Graphical User Interface to various computational chemistry codes developed by the worldwide academic community, with an emphasis on ab initio Quantum Chemistry codes. -
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Simuquant
A quantum circuit simulator written in Scala
Simuquant is made to construct and simulate universal quantum circuits. It's GUI enables intuitive access and direct graphical feedback, making it useful in a classroom situation and the like. Simulation processing is done in parallel, utilizing parallel collections introduced in scala 2.9. This application has been created as part a bachelor-thesis at the Hamburg University of Applied Sciences. -
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A mechanical coupled QM/MM approach developed in C++. The current software is compatible with VASP, TB, Xmd, Paradyn, LAMMPS and Quantum Espresso.
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The aim of this project is to be a GUI front-end and visualization tools for the Vienna Ab-Initio Simulation Package, also know as VASP. VASP is density functional software which calculates a variety properties of solid state systems.
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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.
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Diamond is a confocal scanner written in python / Qt4. It combines an intuitive gui with flexible hardware abstraction classes. It is directed primarily towards quantum information processing (QIP) with single NV centers in diamond.
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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.
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