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pkg://votca-csgapps-1.2.3.tar.gz:10278/votca-csgapps-1.2.3/  info  downloads

README

This repository contains some small analysis programs which are written based on the votca_csg framework

List of programs:

radii:            calculate gyration radius + hydrodynamik radius of a molecule or a set of molecules
sphericalorder:   calculates a spherical order parameter i.e. the distribution of e_r*u where e_r is the unit vector from
                  a reference molecule to the solvent molecules and u is the principle axis of inertia of the solvent molecule
fluctuations:     calculate the number density fluctuations in subvolumes. Subvolumes are either cubic slabs along one of the
                  sim box axis or speherical subvolumes around a solute
orientcorr:       calculates the distance dependent orientational correlation function of a polymer melt

To add your own program just create a new folder and put your *.cc files in there
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