DumpAna
Code to analyse the atom style dump file from LAMMPS. It relies heavily on the voro++ code to determine the nearest neighbors, but for most functions, neighbors can also be defined based on cutoff distances. For a complete function of this code, please check by:
dumpana -h
The dump file from LAMMPS must contain atomic id, type, and positions (in either cartesian or fractional). The code is driven by menu, and therefore no manual is provided.
For compilation, the following libraries are needed:
- voro++ (https://math.lbl.gov/voro++/)
- gsl (https://www.gnu.org/software/gsl/)
One should have these libraries installed before compilation and set the correct path to them in the Makefile.
Once compiled, one can run this code as:
dumpana [options] file
where options will change some of the performance of the code, and file should
be the file name of the LAMMPS dump file. For available options or help, please run:
dumpana -h
Any bug found, please report to konglt@sjtu.edu.cn, thanks.
(R) LT Kong 2022 konglt@sjtu.edu.cn