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02_commands

Makefile
README
butane.data
dihedral.table
empty-orth.data
empty-tric.data
few-orth.data
few-tric.data
in.balance-001
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in.comm_modify-001
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in.comm_style-001
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in.compute_pe-001
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in.dihedral_table_001
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in.empty-000
in.empty-001
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in.processors-001
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in.rattle-001
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in.shake-001
methanol.data
spce.data

README

Integration and regression test collection for LAMMPS: Command tests

This directory contains simple run examples for testing individual commands. The purpose is similar to what would be done with unit tests, but without using a unit test framework and rather try to verify that a command has the desired effect from LAMMPS script commands.

Suggested settings: All inputs should use "timers off" to turn of timer output and statistics and also use "info all" right before the run command to print out some general internall settings for the input.

All input files should be named in.<command>-### (with <command> standing for the command to be tested and # standing for a digit).

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