Search Results for "atomic"
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Showing 15 open source projects for "atomic"
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KherveFitting
Fit X-ray Photoelectron Spectroscopy (XPS) and XAS data
...Various peak fitting models: Product and Sum of Gaussian and Lorentzian (GL & SGL), Voigt, Asymmetric Lorentzian (LA), Doniac-Sunjic (G*DS) and many more . Fit single peaks or doublets. Doublet splitting and RSF values are stored in a library file. Several intensity calibration available:TPP-2M, Scoffield, Wagner. Atomic concentration acurately calculated and matching with Thermo Avantage software. YouTube Channel: https://www.youtube.com/@xpsexamples-imperialcolleg6571 -
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Magnetic_Handicraft_Book
Magnetic Handicraft Book - free energy from the Cosmic Lattice
...Many technical / physical channelings from KRYON are included and are being referenced within the book. Magnetic patterning, magnetic gravity process within the atomic structure, time frame, matter, mass, time, interdimensional membrane and much more are presented here ... Ulrich E. Habel alias DF4IAH, alias espero --- #9 - Experiments with Magnetics, Electrics, Gravity and Intent are documented here. -
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DIANNA
software for DFA method
DIANNA (Diffraction Analysis of Nanopowders) is a free software developed to simulate atomic models of structures from an ensemble of nanoparticles and to calculate their whole X-ray powder diffraction patterns and the radial distribution function. The main objects of investigation are the particles whose coherent scattering domains do not exceed several nm. DIANNA is based on the ab initio method using the Debye scattering equation. -
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XMD is a program for performing molecular dynamic simulations on metals and some ceramics materials at the atomic scale. It models atomic energies and dynamics using user defined pair potentialsl, EAM potentials and some hard coded potentials.
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DISCUS is a set of programs to simulate the atomic structure of disordered materials and calculate experimental properties such as diffuse scattering or the atomic pair distribution function.
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orbkit (Moved to Github)
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. If you use orbkit in your work,... -
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SPIW - Scanning Probe Image Wizard
Scanning Probe Image Wizard - MATLAB Toolbox
SPIW is a MATLAB toolbox, for automated processing of scanning probe microscope images. Tools are applicable to all SPM images, but the main focus is on images with atomic or molecular resolution. SPIW is primarily a MATLAB toolbox with functions designed to be called in a user's own script. SPIW also has a very basic GUI for browsing and exporting images. For information on SPIW's performance see our publication ( http://dx.doi.org/10.1063/1.4827076 ) in the Review of Scientific Instruments. ... -
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The Blue Obelisk Data Repository lists many important chemoinformatics data such as element and isotope properties, atomic radii, etc. including references to original literature. Developers can use this repository to make their software interoperable.
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aufbau
"aufbau" is a program that creates electron configuration of an atom.
...Its purpose is to create electron configuration of an atom, molecule or ion, following, of course, the "Aufbau" Principle. You can subscribe to the project's mailing lit here: https://lists.sourceforge.net/lists/listinfo/atomic-aufbau-news -
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SURF-nanodots
Very basic computer vision program
...Originated in summer 2007 as a collection of C compiled for Matlab (MEX) files and was eventually ported to a standalone C++ application with a GUI created in Qt. This program takes atomic and magnetic force microscope (AFM/MFM) image pairs as input and uses threshold segmentation to identify magnetic nanodots by intensity in the AFM image. These are then used to assess the magnetic states of those dots in the MFM image Attribution: "C++ GUI Programming with Qt 4" by Blanchette and Summerfield was helpful in getting me started on the GUI. -
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PDFgetN is a program to process total scattering data obtained on neutron time-of-flight powder diffractometers and to obtain the atomic pair distribution function (PDF).
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...Currently it enables you to get time solvetions for three-level systems. It's generates files with time solvetions for density matrix. In the future It will solve multilevel atomic system on MPI.
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Burkhard Heim's Mass Formula - A collection of programs that calculate the mass of a variety of sub-atomic particles, based on work by the late Burkhard Heim. http://www.heim-theory.com/
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This computer tutorial program shows and explains structure of atoms and describes how bonds between atoms occur, as well as provides capabilities to access information about chemical elements such as atomic weight via an interactive periodic table.
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A multi-procedure, multi platform electron spectrum evaluation program, with special options for atomic physics and XPS/UPS spectroscopy.
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