Search Results for "ofn-extract-objects.py"

ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation : http://alamode.readthedocs.io/en...

A computer code for simulation of electron-hydrogen scattering. Contains three (more or less) finished sub-programs: (a) “hex-ecs” which solves the Schrödinger equation in the B-spline basis, (b) “hex-dwba” which computes scattering variables for high energies using the distorted wave Born approximation of the first order and finally (c) “hex-db” which is a user interface to a plain SQLite database, where the intermediate results are being stored, and which is used to extract derived...

QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available. See https://qmforge.net for more info.

... localization is performed through template matching and subsequent double Gaussian fitting - Tiff stacks of SM images are analyzed using template matching followed by double-Gaussian fitting to extract estimates of the molecule positions - Two spectral channels are registered by generating a locally-weighted quadratic mapping function from control point pairs

Data evaluation tool for the magnetism reflectometer at the spallation neutron source (BL-4A@SNS). Reads raw nexus files (HDF5) of histogrammed or event mode data to create reflectivity curves and 2D Q-maps.

Echoproc is a piece of scientific analysis software used to extract physical ice sheet characteristics from radio echograms from experiments like the Center for the Remote sensing of ice sheets (https://www.cresis.ku.edu/)

Hotstop is scientific software that allows to extract experimental ion stopping force curves from RBS spectra (as well as to stimate uncertainities) It uses Simulated Annealing and Bayesian Inference algorithms.