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LAMMPS_TOOLBOX

""" @author: YuanbaoQiang """

##log.py

''' This is a simple script to deal with log file from Lammps

Only one file can be exported at a time '''

Input You should follow the point shown in the running window. In this script, you should input two parameters:

  1. The full name of log file you need to deal with;
  2. The loop number, start from zero, and must be a integer.

Output If the two parameters you typed are log.50 and 0, the final name is log_50_0(normally).


##multicurves.py ''' This is a simple script to deal with txt files output from **log.py** Keep only txt files and multicurve.py in the same folder I have also provided three sample txt files in examples/multicurves ''' **Input** *.txt files;

Output Rough preview of results(such as temp, e_bond, etc. parameters you setted in thermo_style)


##contour.py

Input

see files in example and py script

Output

a figure with subgraphs

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  • Python 100.0%