Search Results for "es1-2016-metia1-30"
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Showing 11 open source projects for "es1-2016-metia1-30"
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics... -
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RMGDFT
Real Space Multigrid based electronic structure code.
.../2016. Sources and binaries are available. RMG is a density functional theory (DFT) based electronic structure code that uses real space grids to represent wavefunctions, charge densities and ionic potentials. Designed for scaleability it has been run successfully on systems with thousands of nodes and hundreds of thousands of CPU cores. It is currently under active development and contributions are gladly accepted. -
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Xoptfoil
Airfoil optimization with Xfoil
Airfoil optimization using the highly-regarded Xfoil engine for aerodynamic calculations. Starting with a seed airfoil, Xoptfoil uses particle swarm, genetic algorithm and direct search methodologies to perturb the geometry and maximize performance. The user selects a number of operating points over which to optimize, desired constraints, and the optimizer does the rest. -
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Heat transfer in a bar and sphere
Heat transfer in a bar and sphere using finite differences.
Simulation of the heat transfer in a bar and a sphere (1D) using finite differences in Matlab. Authors: -Jheyson A. Mogollon R. - jheyson260@gmail.com -Luca Meinardo - lucameinardo@gmail.com -Angie Xiomara González - angiegduque@gmail.com Current Version: 2.0 Date: 30/05/2017 -
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orthos
Simulation of EPR spectra of nitroxide biradicals
The program Orthos is developed to performed simulation (including nonlinear least-squares fitting) of EPR spectra of nitroxide biradicals. The program capabilities include simulation of rigid-limit and slow-motional spectra, of both isotropic and aligned samples. The spectra of multiple paramagnetic species, both bi- and monoradicals can be modeled. NB: Please note that now (as of Nov 2016) the distribution is being updated so that to improve reliability, OS-universality, and the quality... -
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orbkit (Moved to Github)
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
... cite it as follows: Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, and Axel Schild, "ORBKIT: A Modular Python Toolbox for Cross-Platform Postprocessing of Quantum Chemical Wavefunction Data", J. Comput. Chem. 2016, DOI: 10.1002/jcc.24358. orbkit's documentation can be found at http://orbkit.github.io/ -
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**(9 march 2016) this project is continued on github : http://jaapkroe.github.io/polypy ** Python script to analyze (shortest-path) rings in structures read from xyz-files. It can be useful for example to identify defects in crystal structures or molecules.
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MIST
A MATLAB toolbox to simulate optical systems
... interferometers with resonant cavities used for the detection of gravitational waves. Subscribe to the mailing list for updates and news. If you use MIST in your own simulation work, please cite is as G. Vajente, "Fast modal simulation of paraxial optical systems: the MIST open source toolbox" Classical and Quantum Gravity 30, 075014 (2013) -
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Nuclei
Feature rich GUI for nuclear decay schemes
Nuclei is a software tool for the displaying of nuclear decay schemes and estimated energy spectra, the calculation of angular γ emission anisotropies, and the automated search for appropriate decay cascade properties. It uses the Evaluated Nuclear Structure Data Files (ENSDF). A description of Nuclei's functionality and results obtained using its search method was published in Nuclear Instruments and Methods in Physics Research, Section A: M. Nagl, et al., NIM A 726 (2013), 17-30 [doi... -
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EMG-30-1 control embedded program.Our company develops and produces high-tech gas analyzing equipment; we also deal with automatic control tasks resolution and perform scientific research works.
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