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
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 | /** \page mpqc
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3 |
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4 | The Massively Parallel Quantum Chemistry program (MPQC) computes the
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5 | properties of molecules from first principles.
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6 |
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7 | This documentation is divided into the following chapters:
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8 |
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9 | \if html
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10 | <ul>
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11 | <li> \ref mpqcover
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12 | <li> \ref mpqccomp
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13 | <li> \ref mpqcrunning
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14 | <li> \ref mpqcinp
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15 | <li> \ref mpqcval
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16 | <li> \ref mpqcpsi
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17 | <li> \ref mpqccomponents
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18 | <li> \ref mpqclic
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19 | <li> \ref mpqcwar
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20 | </ul>
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21 | \endif
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22 |
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23 | \if man
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24 | <ul>
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25 | <li> \ref mpqcover
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26 | <li> \ref mpqcrunning
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27 | <li> \ref mpqcinp
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28 | <li> \ref mpqcval
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29 | <li> \ref mpqcpsi
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30 | <li> \ref mpqccomponents
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31 | <li> \ref mpqclic
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32 | <li> \ref mpqcwar
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33 | </ul>
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34 | <br>
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35 | \endif
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36 |
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37 | */
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