NAME

       csg_orientcorr - Part of the VOTCA package

SYNOPSIS

       csg_orientcorr [OPTIONS]

       csg_orientcorr [--help]

DESCRIPTION

       Calculates the orientational correlation function <3/2*u(0)*u(r) - 1/2> for a polymer melt, where u is
       the vector pointing along a bond and r the distance between bond segments (centered on middle of bond).

       The output is correlation.dat (with intra-molecular contributions) and correlation_excl.dat, where inter-
       molecular contributions are excluded.

OPTIONS

       Allowed options:

         -h [ --help ]               display this help and exit
         --verbose                   be loud and noisy
         --verbose1                  be very loud and noisy
         -v [ --verbose2 ]           be extremly loud and noisy
         --top arg                   atomistic topology file

       Neighbor search options:

         -c [ --cutoff ] arg (=1)  cutoff for the neighbor search
         --nbins arg (=40)         number of bins for the grid
         --nbmethod arg (=grid)    neighbor search algorithm (simple or grid)

       Threading options:

         --nt arg (=1)               number of threads

       Trajectory options:

         --trj arg                   atomistic trajectory file
         --begin arg (=0)            skip frames before this time (only works for
                                   Gromacs files)
         --first-frame arg (=0)      start with this frame
         --nframes arg               process the given number of frames

AUTHORS

       Written and maintained by the VOTCA Development Team <devs@votca.org>

COPYRIGHT

       Copyright 2009-2024 The VOTCA Development Team (http://www.votca.org)

       Licensed under the Apache License, Version 2.0 (the "License"); you may not use this  file except in
       compliance with the License.  You may obtain a copy of the License at

              http://www.apache.org/licenses/LICENSE-2.0

       Unless  required by applicable law or agreed to in writing, software distributed under the License is
       distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY  KIND, either  express  or
       implied.   See  the  License  for  the  specific  language  governing permissions and limitations under
       the License.

VOTCA Development Team                      csg_orientcorr User Manual                         CSG_ORIENTCORR(1)