27 lines
685 B
Python
Executable File
27 lines
685 B
Python
Executable File
#!/usr/bin/env python
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# Script: dumpsort.py
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# Purpose: sort the snapshots in a LAMMPS dump file by atom ID
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# Syntax: dumpsort.py oldfile N newfile
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# oldfile = old LAMMPS dump file in native LAMMPS format
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# N = column # for atom ID (usually 1)
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# newfile = new sorted LAMMPS dump file
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# Author: Steve Plimpton (Sandia), sjplimp at gmail.com
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import sys,os
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path = os.environ["LAMMPS_PYTHON_TOOLS"]
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sys.path.insert(1,path)
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from dump import dump
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if len(sys.argv) != 4:
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sys.exit("Syntax: dumpsort.py oldfile N newfile")
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oldfile = sys.argv[1]
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ncolumn = int(sys.argv[2])
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newfile = sys.argv[3]
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d = dump(oldfile)
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d.map(ncolumn,"id")
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d.sort()
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d.write(newfile)
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