source: ThirdParty/mpqc_open/src/lib/chemistry/cca@ aae63a

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 Candidate_v1.7.1 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
Name Size Rev Age Author Last Change
../
socket.h 1.5 KB ​ 5169d1b   57 years (none)
socket.cc 5.2 KB ​ 5169d1b   57 years (none)
mpqccomponents.dox 5.7 KB ​ 5169d1b   57 years (none)
MPQC_SimpleDriver_Impl.hh 4.2 KB ​ 5169d1b   57 years (none)
MPQC_SimpleDriver_Impl.cc 7.4 KB ​ 5169d1b   57 years (none)
MPQC_Physics_Units_Impl.hh 3.4 KB ​ 5169d1b   57 years (none)
MPQC_Physics_Units_Impl.cc 2.9 KB ​ 5169d1b   57 years (none)
MPQC_IntegralEvaluatorFactory_Impl.hh 10.3 KB ​ 5169d1b   57 years (none)
MPQC_IntegralEvaluatorFactory_Impl.cc 12.5 KB ​ 5169d1b   57 years (none)
MPQC_IntegralEvaluator4_Impl.hh 6.9 KB ​ 5169d1b   57 years (none)
MPQC_IntegralEvaluator4_Impl.cc 14.5 KB ​ 5169d1b   57 years (none)
MPQC_IntegralEvaluator3_Impl.hh 5.2 KB ​ 5169d1b   57 years (none)
MPQC_IntegralEvaluator3_Impl.cc 4.3 KB ​ 5169d1b   57 years (none)
MPQC_IntegralEvaluator2_Impl.hh 6.1 KB ​ 5169d1b   57 years (none)
MPQC_IntegralEvaluator2_Impl.cc 14.0 KB ​ 5169d1b   57 years (none)
MPQC_GaussianBasis_Shell_Impl.hh 5.2 KB ​ 5169d1b   57 years (none)
MPQC_GaussianBasis_Shell_Impl.cc 7.1 KB ​ 5169d1b   57 years (none)
MPQC_GaussianBasis_Molecular_Impl.hh 5.2 KB ​ 5169d1b   57 years (none)
MPQC_GaussianBasis_Molecular_Impl.cc 6.4 KB ​ 5169d1b   57 years (none)
MPQC_GaussianBasis_Atomic_Impl.hh 4.8 KB ​ 5169d1b   57 years (none)
MPQC_GaussianBasis_Atomic_Impl.cc 5.7 KB ​ 5169d1b   57 years (none)
MPQC_ComponentFactory_Impl.hh 4.6 KB ​ 5169d1b   57 years (none)
MPQC_ComponentFactory_Impl.cc 4.3 KB ​ 5169d1b   57 years (none)
MPQC_ComponentClassDescription_Impl.hh 3.8 KB ​ 5169d1b   57 years (none)
MPQC_ComponentClassDescription_Impl.cc 2.6 KB ​ 5169d1b   57 years (none)
MPQC_ChemistryOpt_CoordinateModel_Impl.hh 12.2 KB ​ 5169d1b   57 years (none)
MPQC_ChemistryOpt_CoordinateModel_Impl.cc 23.8 KB ​ 5169d1b   57 years (none)
MPQC_Chemistry_QC_ModelFactory_Impl.hh 7.9 KB ​ 5169d1b   57 years (none)
MPQC_Chemistry_QC_ModelFactory_Impl.cc 14.0 KB ​ 5169d1b   57 years (none)
MPQC_Chemistry_QC_Model_Impl.hh 7.2 KB ​ 5169d1b   57 years (none)
MPQC_Chemistry_QC_Model_Impl.cc 13.0 KB ​ 5169d1b   57 years (none)
MPQC_Chemistry_MoleculeViewer_Impl.hh 4.6 KB ​ 5169d1b   57 years (none)
MPQC_Chemistry_MoleculeViewer_Impl.cc 5.1 KB ​ 5169d1b   57 years (none)
MPQC_Chemistry_Molecule_Impl.hh 5.5 KB ​ 5169d1b   57 years (none)
MPQC_Chemistry_Molecule_Impl.cc 6.5 KB ​ 5169d1b   57 years (none)
Makefile.am 3.8 KB ​ 23612c   10 years FrederikHeber Split SOURCES and HEADERS and prepended subdir.
Makefile 3.5 KB ​ 5169d1b   57 years (none)
LIBS.h 26 bytes ​ 5169d1b   57 years (none)
except.h 307 bytes ​ 5169d1b   57 years (none)
except.cc 316 bytes ​ 5169d1b   57 years (none)
ccaiter.h 576 bytes ​ 5169d1b   57 years (none)
basis_cca_to_sc.cc 3.6 KB ​ 5169d1b   57 years (none)
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