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02_commands

Makefile
README
butane.data
compute_bond.data
dihedral.table
empty-orth.data
empty-tric.data
few-orth.data
few-tric.data
in.balance-001
in.balance-002
in.balance-003
in.balance-004
in.balance-005
in.balance-006
in.comm_modify-001
in.comm_modify-002
in.comm_style-001
in.comm_style-002
in.compute_bond-002
in.compute_bond-003
in.compute_force-001
in.compute_force-002
in.compute_force-003
in.compute_pe-001
in.compute_pe-002
in.compute_pe-003
in.compute_stress-001
in.compute_stress-002
in.compute_stress-003
in.dihedral_table_001
in.dihedral_table_002
in.dihedral_table_003
in.dihedral_table_004
in.dihedral_table_005
in.dihedral_table_006
in.displace_atoms-000
in.displace_atoms-001
in.displace_atoms-002
in.empty-000
in.empty-001
in.empty-002
in.min-001
in.min-002
in.min-003
in.min-004
in.min-005
in.min-006
in.min-007
in.min-008
in.min-009
in.processors-001
in.processors-002
in.rattle-001
in.read_data-001
in.read_data-002
in.read_data-003
in.read_data-004
in.read_data-005
in.read_data-006
in.read_data-007
in.read_data-008
in.read_data-009
in.rerun-001
in.rerun-002
in.rerun-003
in.rerun-004
in.rerun-005
in.rerun-006
in.respa-000
in.respa-001
in.respa-002
in.respa-003
in.respa-004
in.respa-005
in.respa-006
in.respa-007
in.respa-008
in.respa-100
in.respa-101
in.respa-102
in.respa-103
in.respa-200
in.respa-201
in.respa-202
in.shake-001
methanol.data
peptide.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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