additional coarse-graining apps
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CMakeModules
fluctuations
orientcorr
part_dist
partial_rdf
radii
sphericalorder
traj_force
.gitignore
.travis.yml
CMakeLists.txt
README

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
part_dist:        outputs the time-averaged number of particles, listed by particle types (was a part of csg before)
partial_rdf:      calculates the rdf in a spherical subvolume 
traj_force:       add/subtracts reference forces from a given trajectory and stores in a new trajectory
To add your own program just create a new folder and put your *.cc files in there