A software to simulate and fit neutron and x-ray reflectometry and scattering at grazing incidence (GISANS and GISAXS), using distorted-wave Born approximation (DWBA).
OpenSimRoot is a source code for simulating root architecture, nutrient and water uptake and more.
Support library for common computations in fusion.
Python interface for hops
C++ base library of Heinz Maier-Leibnitz Zentrum
Highly Optimized Polytope Sampling
A self-contained numeric library that provides an efficient and accurate implementation of complex error functions, along with Dawson, Faddeeva, and Voigt functions.
Simulation of Shor's algorithm with the semiclassical Fourier transform using multiple GPUs and MPI
The stress and texture calculator: data reduction for materials diffraction.
Efficient computation of scattering form factors (Fourier shape transforms) of arbitrary polyhedra according to Wuttke, J Appl Cryst 54, 580-587 (2021).
The NEST simulator
A C library for Levenberg-Marquardt minimization and least-squares fitting.
Qt capture and replay.
g_elpot: a tool for quantifying biomolecular electrostatics from molecular dynamics trajectories