Search Results for "quantum espresso gui"
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Showing 2 open source projects for "quantum espresso gui"
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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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ParamIT
a Toolset for Molecular Mechanical Force Field Parameterization
ParamIT is a toolkit aiding the development of molecular mechanical force field parameterization of small, drag like, molecules within CHARMM general force field (CGenFF) protocol. The developed toolkit helps the researchers in following ways: 1) automating the creation of multiple input files for quantum and molecular mechanics programs, 2) automating the output analysis and 3) substitute the use of full MM programs with a faster specialized one. The developed tools include: 1) generator of molecule-water complexes with graphical user interface (GUI), 2) semi-automatic frequency analysis using symbolic potential energy distribution matrix and comparison of optimized internal coordinates, 3) GUI for charge fitting with three modes: manual, Monte-Carlo sampling or brute force, and 4) GUI for dihedral terms fitting. ...
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