Search Results for "11"
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Showing 10 open source projects for "11"
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...Band structure unfolding; 7. Fermi surface; 8. Density-of-states and band-structure; 9. Charge/spin density, Charge density difference; 10. Vacuum level and work function; 11. Wave-function analysis; 12. Molecular-dynamics analysis; 13. Effective mass of carrier; 14. Symmetry finding and operations; 15. 3D band structures; More details can be found in its official website https://vaspkit.com.
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Python Laboratory Operations Toolkit
many useful snippets for using python in a laboratory
A toolkit of Python software useful in a laboratory data acquisition and analysis environment. Includes support for such protocols as VXI-11 (and its extension, LXI), Vernier LabPro (now very old), and National Instruments DSTP (now very old). Also includes data analysis and modelling tidbits. Python3 updates are on the way in the very near future for the biggest packages. the vxi11 package is fully up-to-date, although see the blog post about python 3.13 -
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WaveTrain (Python)
Quantum dynamics of chain-like systems using tensor train formats
WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only (with or without periodic boundary conditions). This Python package is centered around tensor train (TT, or matrix product) representations of quantum-mechanical Hamiltonian operators and (stationary or time-evolving) state vectors. WaveTrain builds on the Python tensor train toolbox scikit_tt, which provides efficient construction methods, storage... -
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SoAx
Structure of Arrays of multiple types
Structures of arrays (SoA) are generally faster than arrays of structures (AoS) while AoS are more handy. This project (SoAx) combines the advantages of both. By means of C++(11) meta-template programming SoAx achieves maximal performance (efficient use of vector units and cache of modern CPUs) while providing a very convenient user interface (including object-oriented element handling) and flexibility. It has been designed to handle list-like sets of particles (similar to struct {int id; double[3] pos; float[3] vel;};) in the context of high-performance numerical simulations. ... -
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WavePacket
Dynamics of quantum systems, controlled by external fields
WavePacket is a toolkit for numerical simulation of distinguishable particles. It can solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations, as well as classical or quantum-classical Liouville equations. External electric fields can be added within the semiclassical dipole approximation, thus WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics or chemistry, including... -
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galplot
Plot GALPROP output
Plot package for GALPROP https://sourceforge.net/projects/galprop Plots models and data for cosmic-ray spectra, secondary/primary ratios, gamma rays, synchrotron. Includes gamma-ray source population synthesis and corresponding plots. For gamma rays, convolves models with the Fermi-LAT response. This release is to assess interest. It requires many input data files (not included) which will be made available as required. With the data provided cosmic-ray spectra and ratios and source... -
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Molcrunch
An atomic or molecular electronic properties computational package
THE NEW, 11/7/2013 VERSION OF MOLCRUNCH IS HERE Molcrunch is an atomic or molecular electronic properties computational package. It provides Gaussian and Slater orbital support for SCF, MCSCF, and orthogonal or nonorthogonal orbital CI calculations. Its most sophisticated feature is a configuration manipulation CI package that provides symmetry filtering, orbital occupation selection, and a choice of many other wave function and/or basis characteristics. -
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OFR Analysis Tool
For the analysis of output data from the OFR method
...OFR-AT is a fast and convenient program for analyzing large output data files from the OFR method, and returns the information necessary to quickly and easily calculate the PMF and D(z) in a spreadsheet. The software is described in detail in the following article: J. Comp. Phys., 231(11): 4355-4364. -
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PICO USB ADC 11/12
User space driver to log data from PICO ADC 11/12 for Linux/Mac.
This is a user space driver to log data from PICO ADC 11/12 for Linux. It has been tested on Linux 32 and 64 and on Mac OS X based on Fink project. You find more information about PICO ADC 11/12 here http://www.picotech.com/discontinued/USB-ADC-11.html. This little driver is based on libusb-0.1 (legacy API) which you can find here http://www.libusb.org. -
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IsoRet
Isoline retrieval
Contains tools and executables for performing isoline retrieval as described in the paper: Peter Mills (2009) "Isoline retrieval: An optimal method for validation of advected contours." Computers & Geoscience, 35 (11); 2020-2031.
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