source: ThirdParty/mpqc_open/src/lib/chemistry/qc/basis@ 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
../
transform.h 6.2 KB ​ 5169d1b   57 years (none)
transform.cc 11.6 KB ​ 5169d1b   57 years (none)
tbint.h 19.3 KB ​ 5169d1b   57 years (none)
tbint.cc 13.3 KB ​ 5169d1b   57 years (none)
symmint.h 2.0 KB ​ 5169d1b   57 years (none)
symmint.cc 3.1 KB ​ 5169d1b   57 years (none)
sointegral.h 3.2 KB ​ 5169d1b   57 years (none)
sointegral.cc 8.9 KB ​ 5169d1b   57 years (none)
sobasis.h 5.8 KB ​ 5169d1b   57 years (none)
sobasis.cc 9.1 KB ​ 5169d1b   57 years (none)
shellrot.h 3.1 KB ​ 5169d1b   57 years (none)
shellrot.cc 7.0 KB ​ 5169d1b   57 years (none)
petite.h 7.0 KB ​ 5169d1b   57 years (none)
petite.cc 13.6 KB ​ 5169d1b   57 years (none)
orthog.h 4.5 KB ​ 5169d1b   57 years (none)
orthog.cc 15.4 KB ​ 5169d1b   57 years (none)
obint.h 13.1 KB ​ 5169d1b   57 years (none)
obint.cc 18.6 KB ​ 5169d1b   57 years (none)
Makefile.am 3.9 KB ​ aae63a   10 years FrederikHeber Fixed f77sym.h generation.
Makefile 2.4 KB ​ 5169d1b   57 years (none)
LIBS.h 117 bytes ​ 5169d1b   57 years (none)
integral.h 10.8 KB ​ 5169d1b   57 years (none)
integral.cc 7.9 KB ​ 5169d1b   57 years (none)
gpetite.h 5.9 KB ​ 5169d1b   57 years (none)
gpetite.cc 5.4 KB ​ 5169d1b   57 years (none)
gaussshval.cc 16.8 KB ​ 5169d1b   57 years (none)
gaussshell.h 8.6 KB ​ 5169d1b   57 years (none)
gaussshell.cc 14.8 KB ​ 5169d1b   57 years (none)
gaussbaval.cc 4.5 KB ​ 5169d1b   57 years (none)
gaussbas.h 23.0 KB ​ 5169d1b   57 years (none)
gaussbas.cc 34.1 KB ​ 5169d1b   57 years (none)
files.h 1.4 KB ​ 5169d1b   57 years (none)
files.cc 5.7 KB ​ 5169d1b   57 years (none)
f77sym.in 20 bytes ​ 5169d1b   57 years (none)
extent.h 1.6 KB ​ 5169d1b   57 years (none)
extent.cc 5.6 KB ​ 5169d1b   57 years (none)
distshpair.h 4.1 KB ​ 5169d1b   57 years (none)
distshpair.cc 8.7 KB ​ 5169d1b   57 years (none)
dercent.h 3.6 KB ​ 5169d1b   57 years (none)
dercent.cc 1.9 KB ​ 5169d1b   57 years (none)
cartiter.h 5.5 KB ​ 5169d1b   57 years (none)
cartiter.cc 4.3 KB ​ 5169d1b   57 years (none)
btest.kv 3.9 KB ​ 5169d1b   57 years (none)
btest.cc 22.3 KB ​ 5169d1b   57 years (none)
basis.h 1.2 KB ​ 5169d1b   57 years (none)
aotoso.cc 21.0 KB ​ 5169d1b   57 years (none)
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