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Showing 21 open source projects for "qm"
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QM
Multiplayer agent harness for work
...Administrators control organization settings, available models, shared skills, and security posture. Scheduled jobs and watches let agents continue background work when no user is present. QM can search company information, maintain projects, build internal apps, work in repositories, and publish results to selected users. -
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QMCF2
Quantum Mechanical Charge Field - Molecular Dynamics
QMCF2 is a molecular-simulation package for molecular dynamics, Monte Carlo, geometry optimization, molecular mechanics, and combined quantum-mechanical/molecular-mechanical calculations. The source includes force-field, electrostatics, constraints, thermostats, pressure control, water models, QMCF/QM-MM, external-QM interfaces, conversion tools, and analysis utilities. Interfaces are available for xTB, DFTB+, Gaussian, Turbomole, CRYSTAL, and ASE-based workflows. External programs must be installed separately. Installation: open the Code tab and download or clone the complete repository. On Linux, open a terminal in `qmcf2_installer` and run: `python3 qmcf2_installer.py3` Review the detected compilers, libraries, paths, and warnings, then start the build. ... -
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atomes
Analysis, visualization, edition of 3D atomic scale 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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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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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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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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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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