Search Results for "theory"

miepython is a pure Python module to calculate light scattering for non-absorbing, partially-absorbing, or perfectly-conducting spheres. Mie theory is used, following the procedure described by Wiscombe. This code has been validated against his results. This code provides functions for calculating the extinction efficiency, scattering efficiency, backscattering, and scattering asymmetry. Moreover, a set of angles can be given to calculate the scattering for a sphere at each of those angles.

FreeSEM is a free, open-source desktop application designed for researchers and students to perform Structural Equation Modeling (SEM) for statistical and research analysis. It allows users to visually build models using a drag-and-drop interface to create path diagrams and analyze relationships between observed and latent variables. The software supports methods such as exploratory factor analysis, covariance-based SEM, partial least squares SEM, and meta-SEM, and it provides model fit...

The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using...

DeepH-pack is the official implementation of the DeepH (Deep Hamiltonian) method described in the paper Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation and in the Research Briefing. DeepH-pack supports DFT results made by ABACUS, OpenMX, FHI-aims or SIESTA and will support HONPAS.