NAME¶
csg_call convert_potential lammps - Part of the VOTCA package
SYNOPSIS¶
csg_call convert_potential lammps [OPTIONS]
csg_call convert_potential lammps [–help]
Usage: csg_call [OPTIONS] convert_potential lammps [options] input output
DESCRIPTION¶
This script is a high class wrapper to convert a potential to the lammps format
OPTIONS¶
Allowed options:
--help show this help
--clean remove all intermediate temp files
--no-r2d do not converts rad to degree (scale x axis with 180/3.1415)
for angle interactions
Note: VOTCA calcs in rad, but lammps uses degrees for angle
--no-shift do not shift the potential