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csg_orientcorr - Part of the VOTCA package

Authors

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

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.

Name

csg_orientcorr - Part of the VOTCA package

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

Synopsis

csg_orientcorr [OPTIONS]

       csg_orientcorr [--help]

See Also