mirror of https://github.com/lammps/lammps.git
33 lines
908 B
Python
33 lines
908 B
Python
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#!/usr/local/bin/python
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# Script: dump2cfg.py
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# Purpose: convert a LAMMPS dump file to CFG format
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# Syntax: dump2cfg.py dumpfile Nid Ntype Nx Ny Nz cfgfile
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# dumpfile = LAMMPS dump file in native LAMMPS format
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# Nid,Ntype,Nx,Ny,Nz = columns #s for ID,type,x,y,z
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# (usually 1,2,3,4,5)
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# cfgfile = new CFG file
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# Author: Steve Plimpton (Sandia), sjplimp at sandia.gov
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import sys,os
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path = os.environ["LAMMPS_PYTHON_TOOLS"]
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sys.path.append(path)
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from dump import dump
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from cfg import cfg
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if len(sys.argv) != 8:
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raise StandardError, "Syntax: dump2cfg.py dumpfile Nid Ntype Nx Ny Nz cfgfile"
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dumpfile = sys.argv[1]
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nid = int(sys.argv[2])
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ntype = int(sys.argv[3])
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nx = int(sys.argv[4])
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ny = int(sys.argv[5])
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nz = int(sys.argv[6])
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cfgfile = sys.argv[7]
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d = dump(dumpfile)
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d.map(nid,"id",ntype,"type",nx,"x",ny,"y",nz,"z")
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c = cfg(d)
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c.one(cfgfile)
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