Changeset 1cde364
- Timestamp:
- Mar 2, 2017, 10:26:58 PM (8 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_ChronosMutex, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable
- Children:
- 8e0112
- Parents:
- 4e0e08
- git-author:
- Frederik Heber <heber@…> (03/02/17 14:49:37)
- git-committer:
- Frederik Heber <heber@…> (03/02/17 22:26:58)
- Location:
- tests
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
tests/Calculations/molecuilder_mpqc.in
r4e0e08 r1cde364 4 4 5 5 . ../../atlocal 6 7 SCLIBDIR="@abs_top_srcdir@/ThirdParty/mpqc_open/lib" 8 export SCLIBDIR 6 9 7 10 if test -e ${AUTOTEST_PATH}/../ThirdParty/mpqc_open/src/bin/mpqc/molecuilder_mpqc; then -
tests/Examples/molecuilder_mpqc.in
r4e0e08 r1cde364 4 4 5 5 . ../../atlocal 6 7 SCLIBDIR="@abs_top_srcdir@/ThirdParty/mpqc_open/lib" 8 export SCLIBDIR 6 9 7 10 if test -e ${AUTOTEST_PATH}/../ThirdParty/mpqc_open/src/bin/mpqc/molecuilder_mpqc; then
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