source: ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12@ 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
../
vxb_eval_info.h 9.5 KB ​ 5169d1b   57 years (none)
vxb_eval_info.cc 8.4 KB ​ 5169d1b   57 years (none)
twobodygrid.h 2.7 KB ​ 5169d1b   57 years (none)
twobodygrid.cc 6.8 KB ​ 5169d1b   57 years (none)
transform_tbint.h 7.1 KB ​ 5169d1b   57 years (none)
transform_tbint.cc 11.2 KB ​ 5169d1b   57 years (none)
transform_ixjy.h 2.6 KB ​ 5169d1b   57 years (none)
transform_ixjy.cc 8.6 KB ​ 5169d1b   57 years (none)
transform_ikjy.h 2.6 KB ​ 5169d1b   57 years (none)
transform_ikjy.cc 8.4 KB ​ 5169d1b   57 years (none)
transform_ijxy.h 2.5 KB ​ 5169d1b   57 years (none)
transform_ijxy.cc 7.8 KB ​ 5169d1b   57 years (none)
transform_factory.h 4.7 KB ​ 5169d1b   57 years (none)
transform_factory.cc 5.1 KB ​ 5169d1b   57 years (none)
transform_123inds.h 2.3 KB ​ 5169d1b   57 years (none)
transform_123inds.cc 18.7 KB ​ 5169d1b   57 years (none)
transform_13inds.h 2.3 KB ​ 5169d1b   57 years (none)
transform_13inds.cc 15.9 KB ​ 5169d1b   57 years (none)
transform_12inds.h 2.3 KB ​ 5169d1b   57 years (none)
transform_12inds.cc 14.3 KB ​ 5169d1b   57 years (none)
svd.h 2.1 KB ​ 5169d1b   57 years (none)
svd.cc 7.5 KB ​ 5169d1b   57 years (none)
ri_basis.cc 19.0 KB ​ 5169d1b   57 years (none)
r12int_eval.h 11.6 KB ​ 5169d1b   57 years (none)
r12int_eval.cc 31.3 KB ​ 5169d1b   57 years (none)
r12ia_node0file.h 4.5 KB ​ 5169d1b   57 years (none)
r12ia_node0file.cc 10.3 KB ​ 5169d1b   57 years (none)
r12ia_mpiiofile.h 5.2 KB ​ 5169d1b   57 years (none)
r12ia_mpiiofile.cc 9.3 KB ​ 5169d1b   57 years (none)
r12ia_memgrp.h 4.0 KB ​ 5169d1b   57 years (none)
r12ia_memgrp.cc 6.1 KB ​ 5169d1b   57 years (none)
r12ia.h 6.9 KB ​ 5169d1b   57 years (none)
r12ia.cc 3.6 KB ​ 5169d1b   57 years (none)
r12_amps.h 3.0 KB ​ 5169d1b   57 years (none)
r12_amps.cc 1.9 KB ​ 5169d1b   57 years (none)
print_scmat_norms.h 2.2 KB ​ 5169d1b   57 years (none)
pairiter.h 7.9 KB ​ 5169d1b   57 years (none)
pairiter.cc 3.2 KB ​ 5169d1b   57 years (none)
multipole_ints.cc 7.2 KB ​ 5169d1b   57 years (none)
mp2r12_energy.h 5.3 KB ​ 5169d1b   57 years (none)
mp2r12_energy.cc 36.1 KB ​ 5169d1b   57 years (none)
moindexspace.h 7.4 KB ​ 5169d1b   57 years (none)
moindexspace.cc 14.1 KB ​ 5169d1b   57 years (none)
mbptr12test.in 8.4 KB ​ 5169d1b   57 years (none)
mbptr12test.cc 4.4 KB ​ 5169d1b   57 years (none)
mbptr12.h 10.1 KB ​ 5169d1b   57 years (none)
mbptr12.cc 16.0 KB ​ 5169d1b   57 years (none)
Makefile.am 5.2 KB ​ aae63a   10 years FrederikHeber Fixed f77sym.h generation.
Makefile 2.5 KB ​ 5169d1b   57 years (none)
linkage.h 1.2 KB ​ 5169d1b   57 years (none)
linearr12.h 1.4 KB ​ 5169d1b   57 years (none)
LIBS.h 325 bytes ​ 5169d1b   57 years (none)
lapack.h 622 bytes ​ 5169d1b   57 years (none)
gbc_contribs.cc 22.9 KB ​ 5169d1b   57 years (none)
fock.cc 3.6 KB ​ 5169d1b   57 years (none)
f77sym.in 93 bytes ​ 5169d1b   57 years (none)
exchange.cc 5.1 KB ​ 5169d1b   57 years (none)
ebc_contribs.cc 22.5 KB ​ 5169d1b   57 years (none)
dualbasis_mp2.cc 7.4 KB ​ 5169d1b   57 years (none)
coulomb.cc 5.1 KB ​ 5169d1b   57 years (none)
compute_vxb_a_symm.cc 13.9 KB ​ 5169d1b   57 years (none)
compute_vxb_a_asymm.cc 14.6 KB ​ 5169d1b   57 years (none)
compute_ixjy.cc 14.6 KB ​ 5169d1b   57 years (none)
compute_ikjy.cc 12.9 KB ​ 5169d1b   57 years (none)
compute_ijxy.cc 15.7 KB ​ 5169d1b   57 years (none)
compute_energy_a.cc 3.6 KB ​ 5169d1b   57 years (none)
compute_amps.cc 11.1 KB ​ 5169d1b   57 years (none)
compute_a_gebc_vbs.cc 2.4 KB ​ 5169d1b   57 years (none)
compute_a_gebc_abs1.cc 14.4 KB ​ 5169d1b   57 years (none)
compute_a_gebc.cc 15.6 KB ​ 5169d1b   57 years (none)
blas.h 472 bytes ​ 5169d1b   57 years (none)
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