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
Candidate_v1.7.0
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
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
| Line | |
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| 1 | CITING RESULTS PRODUCED WITH MPQC
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| 2 |
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| 3 | If you publish results using MPQC, please cite it using:
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| 4 |
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| 5 | An unmodified standard release:
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| 6 |
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| 7 | The Massively Parallel Quantum Chemistry Program (MPQC), Version 2.3.1,
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| 8 | Curtis L. Janssen, Ida B. Nielsen, Matt L. Leininger, Edward F. Valeev,
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| 9 | Edward T. Seidl, Sandia National Laboratories, Livermore, CA, USA, 2004.
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| 10 |
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| 11 | A modified release:
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| 12 |
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| 13 | The Massively Parallel Quantum Chemistry Program (MPQC), Version 2.3.1,
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| 14 | Curtis L. Janssen, Ida B. Nielsen, Matt L. Leininger, Edward F. Valeev,
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| 15 | Edward T. Seidl, Sandia National Laboratories, Livermore, CA, 2004.
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| 16 | Modified by An Author, institution, location, year.
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| 17 |
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| 18 | The literature citation in bibtex format is:
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| 19 |
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| 20 | @InProceedings{Janssen95,
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| 21 | Author = "C. Janssen and E. Seidl and M. Colvin",
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| 22 | title = "Object-Oriented Implementation of Parallel Ab Initio Programs",
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| 23 | booktitle = "ACS Symposium Series, Parallel Computing in Computational Chemistry",
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| 24 | volume = 592,
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| 25 | year = 1995
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| 26 | }
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| 27 |
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| 28 | Also, please include the scientific citations for the methods and basis
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| 29 | sets you use.
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