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Here is a list of all documented files with brief descriptions:
openmx3.2/source/add_gcube.c [code]
openmx3.2/source/Allocate_Arrays.c [code]
openmx3.2/source/analysis_example.c [code]
openmx3.2/source/AngularF.c [code]
openmx3.2/source/AtomicDenF.c [code]
openmx3.2/source/AtomicPCCF.c [code]
openmx3.2/source/Band_DFT_Col.c [code]
openmx3.2/source/Band_DFT_Dosout.c [code]
openmx3.2/source/Band_DFT_kpath.c [code]
openmx3.2/source/Band_DFT_MO.c [code]
openmx3.2/source/Band_DFT_NonCol.c [code]
openmx3.2/source/bandgnu13.c [code]
openmx3.2/source/BentNT.c [code]
openmx3.2/source/BroadCast_ComplexMatrix.c [code]
openmx3.2/source/BroadCast_ReMatrix.c [code]
openmx3.2/source/check_lead.c [code]
openmx3.2/source/Cluster_DFT.c [code]
openmx3.2/source/Cluster_DFT_Dosout.c [code]
openmx3.2/source/Cont_Matrix0.c [code]
openmx3.2/source/Cont_Matrix1.c [code]
openmx3.2/source/Cont_Matrix2.c [code]
openmx3.2/source/Cont_Matrix3.c [code]
openmx3.2/source/Contract_Hamiltonian.c [code]
openmx3.2/source/Contract_iHNL.c [code]
openmx3.2/source/Cutoff.c [code]
openmx3.2/source/dampingF.c [code]
openmx3.2/source/deri_dampingF.c [code]
openmx3.2/source/DFT.c [code]
openmx3.2/source/diff_gcube.c [code]
openmx3.2/source/diff_geo.c [code]
openmx3.2/source/DIIS_Mixing_DM.c [code]
openmx3.2/source/DIIS_Mixing_Rhok.c [code]
openmx3.2/source/Divide_Conquer.c [code]
openmx3.2/source/Divide_Conquer_Dosout.c [code]
openmx3.2/source/DosMain.c [code]
openmx3.2/source/Dr_AtomicDenF.c [code]
openmx3.2/source/Dr_AtomicPCCF.c [code]
openmx3.2/source/Dr_RadialF.c [code]
openmx3.2/source/Dr_VH_AtomF.c [code]
openmx3.2/source/Dr_VNAF.c [code]
openmx3.2/source/dtime.c [code]
openmx3.2/source/Eff_Hub_Pot.c [code]
openmx3.2/source/Eigen_lapack.c [code]
openmx3.2/source/Eigen_PHH.c [code]
openmx3.2/source/Eigen_PReHH.c [code]
openmx3.2/source/EigenBand_lapack.c [code]
openmx3.2/source/esp.c [code]
openmx3.2/source/EulerAngle_Spin.c [code]
openmx3.2/source/f77func.h [code]
openmx3.2/source/filA1.py [code]
openmx3.2/source/filA3.py [code]
openmx3.2/source/File_CntCoes.c [code]
openmx3.2/source/Find_ApproxFactN.c [code]
openmx3.2/source/Find_CGrids.c [code]
openmx3.2/source/find_Emin.c [code]
openmx3.2/source/find_Emin0.c [code]
openmx3.2/source/find_Emin2.c [code]
openmx3.2/source/find_Emin_withS.c [code]
openmx3.2/source/Force.c [code]
openmx3.2/source/Force_test.c [code]
openmx3.2/source/frac2xyz.c [code]
openmx3.2/source/Free_Arrays.c [code]
openmx3.2/source/FT_NLP.c [code]
openmx3.2/source/FT_PAO.c [code]
openmx3.2/source/FT_ProductPAO.c [code]
openmx3.2/source/FT_ProExpn_VNA.c [code]
openmx3.2/source/FT_VNA.c [code]
openmx3.2/source/Fuzzy_Weight.c [code]
openmx3.2/source/Gaunt.c [code]
openmx3.2/source/Gauss_Legendre.c [code]
openmx3.2/source/GDivide_Conquer.c [code]
openmx3.2/source/GDivide_Conquer_Dosout.c [code]
openmx3.2/source/Get_Cnt_dOrbitals.c [code]
openmx3.2/source/Get_Cnt_Orbitals.c [code]
openmx3.2/source/Get_dOrbitals.c [code]
openmx3.2/source/Get_OneD_HS_Col.c [code]
openmx3.2/source/Get_Orbitals.c [code]
openmx3.2/source/GR_Pulay_DM.c [code]
openmx3.2/source/Hamiltonian_Band.c [code]
openmx3.2/source/Hamiltonian_Band_NC.c [code]
openmx3.2/source/Hamiltonian_Cluster.c [code]
openmx3.2/source/Hamiltonian_Cluster_NC.c [code]
openmx3.2/source/Hamiltonian_Cluster_SO.c [code]
openmx3.2/source/init.c [code]
openmx3.2/source/init_alloc_first.c [code]
openmx3.2/source/Init_List_YOUSO.c [code]
openmx3.2/source/Initial_CntCoes.c [code]
openmx3.2/source/Input_std.c [code]
openmx3.2/source/Inputtools.c [code]
openmx3.2/source/Inputtools.h [code]
openmx3.2/source/io_tester.c [code]
openmx3.2/source/IS_Hotelling.c [code]
openmx3.2/source/IS_Lanczos.c [code]
openmx3.2/source/IS_LU.c [code]
openmx3.2/source/IS_Taylor.c [code]
openmx3.2/source/iterout.c [code]
openmx3.2/source/jx.c [code]
openmx3.2/source/Kerker_Mixing_Rhok.c [code]
openmx3.2/source/Krylov.c [code]
openmx3.2/source/Krylov_Dosout.c [code]
openmx3.2/source/lapack_dstedc1.c [code]
openmx3.2/source/lapack_dstedc2.c [code]
openmx3.2/source/lapack_dstegr1.c [code]
openmx3.2/source/lapack_dstegr2.c [code]
openmx3.2/source/lapack_dsteqr1.c [code]
openmx3.2/source/lapack_dstevx1.c [code]
openmx3.2/source/lapack_dstevx2.c [code]
openmx3.2/source/Lapack_LU_inverse.c [code]
openmx3.2/source/lapack_prototypes.h [code]
openmx3.2/source/lbfgs.c [code]
openmx3.2/source/LU_inverse.c [code]
openmx3.2/source/Make_Comm_Worlds.c [code]
openmx3.2/source/Make_ESM.c [code]
openmx3.2/source/Maketest.c [code]
openmx3.2/source/malloc_multidimarray.c [code]
openmx3.2/source/MD_pac.c [code]
openmx3.2/source/Memory_Leak_test.c [code]
openmx3.2/source/Merge_LogFile.c [code]
openmx3.2/source/mimic_mpi.c [code]
openmx3.2/source/mimic_mpi.h [code]
openmx3.2/source/Mio_tester.c [code]
openmx3.2/source/Mio_tester2.c [code]
openmx3.2/source/Mixing_DM.c [code]
openmx3.2/source/mpi_multi_world.c [code]
openmx3.2/source/mpi_multi_world2.c [code]
openmx3.2/source/Mulliken_Charge.c [code]
openmx3.2/source/Nonlocal_Basis.c [code]
openmx3.2/source/Nonlocal_RadialF.c [code]
openmx3.2/source/Occupation_Number_LDA_U.c [code]
openmx3.2/source/openmx.c [code]
openmx3.2/source/openmx_common.c [code]
openmx3.2/source/openmx_common.h [code]
openmx3.2/source/Opt_Contraction.c [code]
openmx3.2/source/OpticalConductivityMain.c [code]
openmx3.2/source/Orbital_Moment.c [code]
openmx3.2/source/OutData.c [code]
openmx3.2/source/Output_CompTime.c [code]
openmx3.2/source/outputfile1.c [code]
openmx3.2/source/Overlap_Band.c [code]
openmx3.2/source/Overlap_Cluster.c [code]
openmx3.2/source/pdb2pao.c [code]
openmx3.2/source/PhiF.c [code]
openmx3.2/source/Poisson.c [code]
openmx3.2/source/polB.c [code]
openmx3.2/source/Pot_NeutralAtom.c [code]
openmx3.2/source/PrintMemory.c [code]
openmx3.2/source/PrintMemory_Fix.c [code]
openmx3.2/source/QuickSort.c [code]
openmx3.2/source/RadialF.c [code]
openmx3.2/source/read_scfout.c [code]
openmx3.2/source/read_scfout.h [code]
openmx3.2/source/readfile.c [code]
openmx3.2/source/RecursionS_B.c [code]
openmx3.2/source/RecursionS_C.c [code]
openmx3.2/source/RecursionS_D.c [code]
openmx3.2/source/RecursionS_E.c [code]
openmx3.2/source/RecursionS_E2.c [code]
openmx3.2/source/RecursionS_F.c [code]
openmx3.2/source/RecursionS_G.c [code]
openmx3.2/source/RecursionS_H.c [code]
openmx3.2/source/RecursionS_H2.c [code]
openmx3.2/source/RecursionS_I.c [code]
openmx3.2/source/ReLU_inverse.c [code]
openmx3.2/source/RestartFileDFT.c [code]
openmx3.2/source/RF_BesselF.c [code]
openmx3.2/source/rmmpi.c [code]
openmx3.2/source/rot.c [code]
openmx3.2/source/Runtest.c [code]
openmx3.2/source/SCF2File.c [code]
openmx3.2/source/Set_Aden_Grid.c [code]
openmx3.2/source/Set_Allocate_Atom2CPU.c [code]
openmx3.2/source/Set_Density_Grid.c [code]
openmx3.2/source/Set_Hamiltonian.c [code]
openmx3.2/source/Set_Nonlocal.c [code]
openmx3.2/source/Set_OLP_Kin.c [code]
openmx3.2/source/Set_Orbitals_Grid.c [code]
openmx3.2/source/Set_ProExpn_VNA.c [code]
openmx3.2/source/Set_Vpot.c [code]
openmx3.2/source/Set_XC_Grid.c [code]
openmx3.2/source/SetPara_DFT.c [code]
openmx3.2/source/setup_CPU_group.c [code]
openmx3.2/source/Simple_Mixing_DM.c [code]
openmx3.2/source/Smoothing_Func.c [code]
openmx3.2/source/Spherical_Bessel.c [code]
openmx3.2/source/test.c [code]
openmx3.2/source/test0.c [code]
openmx3.2/source/test2.c [code]
openmx3.2/source/test3.c [code]
openmx3.2/source/test_mpi.c [code]
openmx3.2/source/test_mpi2.c [code]
openmx3.2/source/test_mpi3.c [code]
openmx3.2/source/test_mpi4.c [code]
openmx3.2/source/Tetrahedron_Blochl.c [code]
openmx3.2/source/Timetool.c [code]
openmx3.2/source/Total_Energy.c [code]
openmx3.2/source/TRAN_adjust_Grid_Origin.c [code]
openmx3.2/source/TRAN_adjust_Ngrid.c [code]
openmx3.2/source/TRAN_Allocate.c [code]
openmx3.2/source/TRAN_Apply_Bias2e.c [code]
openmx3.2/source/TRAN_Calc_CentGreen.c [code]
openmx3.2/source/TRAN_Calc_CentGreenLesser.c [code]
openmx3.2/source/TRAN_Calc_GC_LorR.c [code]
openmx3.2/source/TRAN_Calc_GridBound.c [code]
openmx3.2/source/TRAN_Calc_OneTransmission.c [code]
openmx3.2/source/TRAN_Calc_SelfEnergy.c [code]
openmx3.2/source/TRAN_Calc_SurfGreen.c [code]
openmx3.2/source/TRAN_Calc_Transmission.c [code]
openmx3.2/source/TRAN_Calc_VHartree_G0.c [code]
openmx3.2/source/TRAN_Calc_VHartree_Gnon0.c [code]
openmx3.2/source/TRAN_Check_Region.c [code]
openmx3.2/source/TRAN_Check_Region_Lead.c [code]
openmx3.2/source/TRAN_Connect_Read_Density.c [code]
openmx3.2/source/TRAN_Connect_Read_Hamiltonian.c [code]
openmx3.2/source/TRAN_Credit.c [code]
openmx3.2/source/TRAN_Deallocate_Electrode_Grid.c [code]
openmx3.2/source/TRAN_Deallocate_RestartFile.c [code]
openmx3.2/source/TRAN_Deallocate_SurfOverlap.c [code]
openmx3.2/source/TRAN_DFT.c [code]
openmx3.2/source/TRAN_DFT_Dosout.c [code]
openmx3.2/source/TRAN_Distribute_Node.c [code]
openmx3.2/source/TRAN_FFT_interpolation3c.c [code]
openmx3.2/source/TRAN_Input_std.c [code]
openmx3.2/source/TRAN_Input_std_Atoms.c [code]
openmx3.2/source/TRAN_Interp_ElectrodeDensity_Grid.c [code]
openmx3.2/source/TRAN_Output_HKS.c [code]
openmx3.2/source/TRAN_Output_HKS_Write_Grid.c [code]
openmx3.2/source/TRAN_Output_Trans_HS.c [code]
openmx3.2/source/TRAN_Output_Transmission.c [code]
openmx3.2/source/TRAN_Overwrite_Densitygrid.c [code]
openmx3.2/source/TRAN_Overwrite_V2.c [code]
openmx3.2/source/TRAN_Poisson.c [code]
openmx3.2/source/TRAN_Print.c [code]
openmx3.2/source/TRAN_Print_Grid.c [code]
openmx3.2/source/tran_prototypes.h [code]
openmx3.2/source/TRAN_Read.c [code]
openmx3.2/source/TRAN_RestartFile.c [code]
openmx3.2/source/TRAN_Set_CentOverlap.c [code]
openmx3.2/source/TRAN_Set_Electrode_Grid.c [code]
openmx3.2/source/TRAN_Set_IntegPath.c [code]
openmx3.2/source/TRAN_Set_MP.c [code]
openmx3.2/source/TRAN_Set_PathEnergyStr.c [code]
openmx3.2/source/TRAN_Set_SurfOverlap.c [code]
openmx3.2/source/TRAN_Set_Value.c [code]
openmx3.2/source/tran_variables.h [code]
openmx3.2/source/TranMain.c [code]
openmx3.2/source/Truncated_System.c [code]
openmx3.2/source/truncation.c [code]
openmx3.2/source/unit2xyz.c [code]
openmx3.2/source/VH_AtomF.c [code]
openmx3.2/source/VNAF.c [code]
openmx3.2/source/Voronoi_Charge.c [code]
openmx3.2/source/Voronoi_Orbital_Moment.c [code]
openmx3.2/source/XC_CA_LSDA.c [code]
openmx3.2/source/XC_Ceperly_Alder.c [code]
openmx3.2/source/XC_EX.c [code]
openmx3.2/source/XC_PBE.c [code]
openmx3.2/source/XC_PW91C.c [code]
openmx3.2/source/xyz2spherical.c [code]
openmx3.2/source/zero_cfrac.c [code]

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