Search Results for "qm"
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Showing 26 open source projects for "qm"
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DFT based code for the embedding of a local TB code with deMon2K. This code reads deMon2k and calculates the self energy for orbital energies correction. To this end you need to modify the master version on deMon2k with the code given in the folder deMon2k_modifications
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QP Real-Time Event Frameworks & Tools
Real-Time Event Frameworks based on active objects & state machines
QP real-time event frameworks (RTEFs) provide lightweight, modern, event-driven architecture based on asynchronous Active Objects (Actors) and Hierarchical State Machines. The matching QM model-based design tool and other host-based tools complement the QP frameworks by supporting graphical modeling, code generation, software tracing, and unit testing for event-driven embedded software. Visit https://www.state-machine.com for more information. The QP RTEFs can run on bare-metal microcontrollers, replacing a traditional RTOS. ... -
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atomes
Analysis, visualization, edition of 3D atomistic models
...atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: - Classical MD : DL-POLY and LAMMPS - ab-initio MD : CPMD and CP2K - QM-MM MD : CPMD and CP2K atomes is developed by Dr. Sébastien Le Roux, research engineer for the CNRS Dr. Sébastien Le Roux works at the Institut de Physique et Chimie des Matériaux de Strasbourg. -
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bctl
1-wire based boiler/DHW/distribution heating system controller
...The software package is written in C++ and utilizes the owcapi and owlib facilities of the open-source owfs package for all 1-wire transactions. The software architecture is based on the QP hierarchical state machine framework developed by Quantum Leaps, and utilizes their QM modeling tool for state machine template generation. QP is an open-source package and QM is distributed free of charge. -
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QP/C++ Real-Time Embedded Framework
Mirror of the QP/C++ real-time embedded framewrok GitHub repo
QP/C++ real-time embedded framework/RTOS for embedded systems based on active objects (actors) and hierarchical state machines. -
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WaveFunctionCollapse
Bitmap & tilemap generation from a single example
...WFC initializes output bitmap in a completely unobserved state, where each pixel value is in superposition of colors of the input bitmap (so if the input was black & white then the unobserved states are shown in different shades of grey). The coefficients in these superpositions are real numbers, not complex numbers, so it doesn't do the actual quantum mechanics, but it was inspired by QM. Then the program goes into the observation-propagation cycle. It may happen that during propagation all the coefficients for a certain pixel become zero. That means that the algorithm has run into a contradiction and can not continue. The problem of determining whether a certain bitmap allows other nontrivial bitmaps satisfying condition (C1) is NP-hard, so it's impossible to create a fast solution that always finishes. ... -
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...In fact, this simulation interface concentrates all the common code involved in the coupling terms of the QM/MM approach.
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ForceGen
Derives force constants from Gaussian QM for Gromacs MD
Please cite: ForceGen: atomic covalent bond constant derivation for Gromacs. Nash A, Collier T, Birch HL, de Leeuw NH. Journal of Molecular Modeling (2018), (24)5. DOI: 10.1007/s00894-017-3530-6 Instruction video: https://youtu.be/fQVXv8Ge_tg This Java executable jar derives second order bond force constants for bond stretch and bond angle from quantum mechanical Gaussian calculations. The calculations are compatible with the Amber force field family or any force field derived from... -
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oreka
Enterprise telephony recording and retrieval system
...It can record audio from most PBX and telephony systems such as BroadWorks, Metaswitch, Asterisk, FreeSwitch, OpenSIPS, Avaya, Nortel, Mitel, Siemens, Cisco Call Manager, Cosmocom, NEC, etc... It is amongst others being used in Call Centers and Contact Centers for Quality monitoring (QM) purposes. -
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Iphigenie
A fast and versatile molecular dynamics program
The molecular mechanics (MM) program Iphigenie provides a broad range of molecular dynamics (MD) methods and technologies, including polarizable force fields (PMM), the HADES reaction field, and QM/(P)MM hybrid simulations. -
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metacell
E-mobility Battery Standard
...It starts with a case for 18650 Li-Ion batteries to be used on pedelecs, E-skates or scooters, adds a microcontroller for capacity and lifecyle-management, and continues to an open database for battery Quality management (QM). -
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qutoss
sandbox particle simulator that obeys schrödinger's equation
...The project's purpose is to aid the user in building intuition for the peculiar workings of the quantum realm. As such, it aims to be user-friendly and does not require prior knowledge of QM. Currently only available for macOS and Windows users (Linux version will be uploaded in the future). Created with Qt and OpenGL. -
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QMachine
A platform for World Wide Computing
QMachine (QM) is a web service for distributed computing. Its design relaxes the usual requirements of a distributed computer so far that it can be powered completely by web browsers – without installing anything. -
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toastpp Slab
Solve the diffuse optical tomography (DOT) problem in a slab geometry.
...Generate mesh with tetgen 2b. Check mesh and remove bad elements 3. Generate initial values 4a. Generate detector positions 4b. Generate source positions 5. Generate source-detector (QM) file 6a. Solve the forward solution in TOAST++ and compare to the analytical solution 6b. Generate the FEM file from synthetic data generated in 6a 7. Reconstruct mus and mua in the slab using TOAST++ 8. Plot solution tetgen: http://wias-berlin.de/software/tetgen/ This code is a starting point and can be expanded to complicated geometries. -
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This is a general open source Quantum Mechanics/Molecular Mechanics project with academic origin. Its intention is to produce free software tools to study molecular systems through QM/MM, in open collaboration.
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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 Questionmark - Moodle Connector creates a link between Questionmark Perception and Moodle enabling instructors to schedule Perception assessments and students to launch Perception assessments from within the Moodle environment.
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Is a simply QT interface for backup a Video DVD in DiVX format with a mencoder. Now the program run on Windows XP/2000/Vista end on Linux/KDE4 System. Now is Localized interface. Language support are English and Italian send me another qm file language.
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This is a repository for QueueMetrics add-ons that are contribuited by the community and are open-source.
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Soft for ab initio and MD simulating of water system. Contains program for ICE: construct ice, specific monte-carlo simulation, proton rearrangement calculations; for PDB-water: calculate rotation energy profile, for Effective Fragment simulations.
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The Quantum Systems Simulator gives you time-dependent quantum computations (and other QM systems); an easy, intuitive interface for building complex Hamiltonians out of simple ones; and SPEED: 2-3x faster than Matlab on tested problems.
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