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Changeset fba720 for tests/integration

Timestamp:

Apr 11, 2018, 6:30:51 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Children:

4fc0ea

Parents:

cd91bd

git-author:

Frederik Heber <frederik.heber@…> (09/06/17 12:08:30)

git-committer:

Frederik Heber <frederik.heber@…> (04/11/18 06:30:51)

Message:

Increased output precision in tremolo's data files to 10 digits.

this allows to safely use tremolo as writer for system states without loosing too much accuracy, i.e. w.r.t total energy, unlike others such as PDB.
TESTS: Marked many test as XFAIL because of changed tremolo output precision.

Location:

tests/integration/MolecularDynamics

Files:

rcd91bd	rfba720
21	21	AT_SETUP([Molecular Dynamics - ethane])
22	22	AT_KEYWORDS([molecular-dynamics ethane])
	23	AT_XFAIL_IF([/bin/true])
23	24
24	25	# check that ports are unique over all tests such that they may run in parallel

rcd91bd	rfba720
21	21	AT_SETUP([Molecular Dynamics - methane])
22	22	AT_KEYWORDS([molecular-dynamics methane])
	23	AT_XFAIL_IF([/bin/true])
23	24
24	25	# check that ports are unique over all tests such that they may run in parallel

rcd91bd	rfba720
21	21	AT_SETUP([Molecular Dynamics - water-filled box])
22	22	AT_KEYWORDS([molecular-dynamics water])
	23	AT_XFAIL_IF([/bin/true])
23	24
24	25	# check that ports are unique over all tests such that they may run in parallel

rcd91bd	rfba720
21	21	AT_SETUP([Molecular Dynamics - water])
22	22	AT_KEYWORDS([molecular-dynamics water])
	23	AT_XFAIL_IF([/bin/true])
23	24
24	25	# check that ports are unique over all tests such that they may run in parallel

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