add simple regression tester for bonds/angles
fe02d652b504
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Nov 23 2013, 17:27.

Description

add simple regression tester for bonds/angles

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Nov 23 2013, 17:27

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS7d8549d9caf0: update command line summary

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSfe02d652b504: add simple regression tester for bonds/angles (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Nov 23 2013, 17:27

		Path
A	(dir)	regtest/bond/
A		regtest/bond/data.2mols
A		regtest/bond/in.bond_angle
A	(dir)	regtest/bond/ref/
A		regtest/bond/ref/log.class2a-none
A		regtest/bond/ref/log.class2b-none
A		regtest/bond/ref/log.fene-expand-a-none
A		regtest/bond/ref/log.fene-expand-b-none
A		regtest/bond/ref/log.fene-none
A		regtest/bond/ref/log.harmonic-none
A		regtest/bond/ref/log.harmonic-shift-a-none
A		regtest/bond/ref/log.harmonic-shift-cut-a-none
A		regtest/bond/ref/log.morse-none
A		regtest/bond/ref/log.nonlinear-none
A		regtest/bond/runtests.sh