Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
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
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
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| 1 |
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| 2 | /** \mainpage The Massively Parallel Quantum Chemistry Program (MPQC) and the Scientific Computing Toolkit (SC)
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| 3 |
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| 4 | The Massively Parallel Quantum Chemistry program (MPQC) computes
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| 5 | the properties of molecules, <i>ab initio</i>, on a wide variety
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| 6 | of computer architectures.
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| 7 |
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| 8 | The Scientific Computing toolkit (SC) provides C++ class libraries for
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| 9 | scientific computation. Included are classes for managing memory, saving
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| 10 | and restoring the state of objects, reading objects from an input file,
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| 11 | parallel communication, matrix algebra, among others.
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| 12 |
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| 13 | <ul>
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| 14 | <li> \ref overview
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| 15 | <li> \ref download
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| 16 | <li> \ref compile
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| 17 | </ul>
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| 18 |
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| 19 | \section userref Command Reference
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| 20 | <ul>
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| 21 | <li> \ref mpqc
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| 22 | <li> \ref mpqcrun
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| 23 | <li> \ref scpr
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| 24 | <li> \ref scls
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| 25 | <li> \ref molrender
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| 26 | <li> \ref sc-config
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| 27 | <li> \ref sc-libtool
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| 28 | <li> \ref sc-mkf77sym
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| 29 | </ul>
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| 30 |
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| 31 | \section develref Developer's Reference
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| 32 | <ul>
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| 33 | <li> \ref develop
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| 34 | <li> \ref srctree
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| 35 | <li> \ref ref
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| 36 | <li> \ref class
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| 37 | <li> \ref state
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| 38 | <li> \ref keyval
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| 39 | <li> \ref group
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| 40 | <li> \ref scmat
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| 41 | <li> \ref symmetry
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| 42 | </ul>
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| 43 |
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| 44 | */
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