Search Results for "ircbot python module"

Keywords (XNDiff): -SAXS -SANS -absolute units -core (double)shell crystalline nanoparticles -with a parallelepidal shape -particle assemblies -powder and ensemble average -C/C++ -Unix -OpenMP -HPC Cluster Keywords (BatchMultiFit): -simultaneous fits for several SAXS and SANS curves with simulation data from XNDiff -SANS data can be smeared with dq values from experimental data sets or analytical functions -Mathematica console -local and global optimizers (simulated annealing, differential evolution, Nelder-Mead, ...) can be used -range for fit parameters and further constraints between fit parameters -parallelized (typ. 4-8 threads) TODO (BatchMultiFit): -read and use errorbars from experimental data sets -allow different q-ranges for different data sets in the fits -rewrite and test in Python using e.g. the lmfit module: https://pypi.python.org/pypi/lmfit/ to get rid of Mathematica and to run it on HPC clusters