forked from lijiext/lammps
41 lines
793 B
Python
Executable File
41 lines
793 B
Python
Executable File
#!/usr/bin/env python -i
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# preceeding line should have path for Python on your machine
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# trivial.py
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# Purpose: run a LAMMPS input script via Python
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# Syntax: trivial.py in.lammps
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# in.lammps = LAMMPS input script
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import sys
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# parse command line
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argv = sys.argv
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if len(argv) != 2:
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print "Syntax: trivial.py in.lammps"
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sys.exit()
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infile = sys.argv[1]
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me = 0
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# uncomment if running in parallel via Pypar
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#import pypar
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#me = pypar.rank()
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#nprocs = pypar.size()
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from lammps import lammps
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lmp = lammps()
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# run infile all at once
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lmp.file(infile)
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# run infile one line at a time
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#lines = open(infile,'r').readlines()
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#for line in lines: lmp.command(line)
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# uncomment if running in parallel via Pypar
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#print "Proc %d out of %d procs has" % (me,nprocs), lmp
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#pypar.finalize()
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