Action_Thermostats
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
EmpiricalPotential_contain_HomologyGraph_documentation
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_oldresults
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
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Last change
on this file since 3f6aac was 6253ed, checked in by Frederik Heber <heber@…>, 12 years ago |
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FIX: Added license disclaimer to every testfile .at of the testsuite as well.
- so far, there was no disclaimer on the copyright of the code.
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-
Property mode
set to
100644
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File size:
1.4 KB
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| 1 | #
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| 2 | # MoleCuilder - creates and alters molecular systems
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| 3 | # Copyright (C) 2008-2012 University of Bonn
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| 4 | #
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| 5 | # This program is free software: you can redistribute it and/or modify
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| 6 | # it under the terms of the GNU General Public License as published by
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| 7 | # the Free Software Foundation, either version 3 of the License, or
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| 8 | # (at your option) any later version.
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| 9 | #
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| 10 | # This program is distributed in the hope that it will be useful,
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| 11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 13 | # GNU General Public License for more details.
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| 14 | #
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| 15 | # You should have received a copy of the GNU General Public License
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| 16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
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| 17 | #
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| 18 | ### test stand-in mpqc program
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| 19 |
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| 20 | # first check that out stand-in mpqc does what it should do
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| 21 | AT_SETUP([Fragmentation - Automation: Stand-in mpqc])
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| 22 | AT_KEYWORDS([fragmentation automation mpqcstub ])
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| 23 |
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| 24 | # check failure when no file is given
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| 25 | AT_CHECK([../../mpqc], 134, [ignore], [ignore])
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| 26 |
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| 27 | # Create Job00.in
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| 28 | AT_CHECK([echo "${abs_top_srcdir}/tests/JobMarket/pre/BondFragment00.out" >Job00.in], 0)
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| 29 |
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| 30 | # check prints the output file when given input file
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| 31 | AT_CHECK([../../mpqc Job00.in], 0, [stdout], [ignore])
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| 32 | AT_CHECK([diff stdout ${abs_top_srcdir}/tests/JobMarket/pre/BondFragment00.out], 0, [ignore], [ignore])
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| 33 |
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| 34 | AT_CLEANUP
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| 35 |
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