NAME

csg_call pressure_cor wjk - Part of the VOTCA package

SYNOPSIS

csg_call pressure_cor wjk [OPTIONS]

csg_call pressure_cor wjk [–help]

Usage: csg_call [OPTIONS] pressure_cor wjk p_cur outfile kBT min:step:max scale p_target particle_dens rdf_file

DESCRIPTION

This script calls the pressure corrections like in Wan, Junghans & Kremer, Euro. Phys. J. E 28, 221 (2009) Basically dU=A*(1-r/r_c) with A= -max(0.1k_B T, Int ) * sign(p_cur-p_target) and Int is the integral from Eq. 7 in the paper.