MODULE FileUnits_Module USE Numeric_Kinds_Module USE FileUnits_Asymptotic_Module USE FileUnits_Common_Module USE FileUnits_OneDim_Module IMPLICIT NONE SAVE INTEGER(KIND=IW_Kind), PARAMETER::frst_Unit = 14 ! INTEGER(KIND=IW_Kind), PARAMETER::pmat_Unit = 15 ! INTEGER(KIND=IW_Kind), PARAMETER::ovr_Unit = 16 ! INTEGER(KIND=IW_Kind), PARAMETER::elvl_Unit = 17 ! INTEGER(KIND=IW_Kind), PARAMETER::work_Unit = 18 ! INTEGER(KIND=IW_Kind), PARAMETER::dwork_Unit = 19 ! INTEGER(KIND=IW_Kind), PARAMETER::todo_Unit = 20 ! INTEGER(KIND=IW_Kind), PARAMETER::phmat_Unit = 21 ! INTEGER(KIND=IW_Kind), PARAMETER::fph_Unit = 22 ! INTEGER(KIND=IW_Kind), PARAMETER::dmu_Unit = 23 ! INTEGER(KIND=IW_Kind), PARAMETER::low_Unit = 24 ! INTEGER(KIND=IW_Kind), PARAMETER::e_Unit = 25 ! INTEGER(KIND=IW_Kind), PARAMETER::p_Unit = 26 ! INTEGER(KIND=IW_Kind), PARAMETER::q_Unit = 27 ! INTEGER(KIND=IW_Kind), PARAMETER::Norm_Unit = 28 ! INTEGER(KIND=IW_Kind), PARAMETER::intrp_Unit = 29 ! INTEGER(KIND=IW_Kind), PARAMETER::Bas_Unit = 30 ! INTEGER(KIND=IW_Kind), PARAMETER::res_Unit = 31 ! INTEGER(KIND=IW_Kind), PARAMETER::inho_Unit = 32 ! INTEGER(KIND=IW_Kind), PARAMETER::tmutp_Unit = 33 ! INTEGER(KIND=IW_Kind), PARAMETER::sflvl_Unit = 34 ! INTEGER(KIND=IW_Kind), PARAMETER::jtot_Unit = 35 ! INTEGER(KIND=IW_Kind), PARAMETER::lam_Unit = 36 ! INTEGER(KIND=IW_Kind), PARAMETER::asym_Unit = 37 ! INTEGER(KIND=IW_Kind), PARAMETER::cor_Unit = 38 ! INTEGER(KIND=IW_Kind), PARAMETER::sbfrst_Unit = 39 ! INTEGER(KIND=IW_Kind), PARAMETER::vec_Unit = 40 ! INTEGER(KIND=IW_Kind), PARAMETER::vfrst_Unit = 541 ! INTEGER(KIND=IW_Kind), PARAMETER::Pfrst_Unit = 742 ! INTEGER(KIND=IW_Kind), PARAMETER::weight_Unit = 43 ! INTEGER(KIND=IW_Kind), PARAMETER::wfrst_Unit = 44 ! INTEGER(KIND=IW_Kind), PARAMETER::sf33_Unit = 45 ! INTEGER(KIND=IW_Kind), PARAMETER::sf34_Unit = 46 ! INTEGER(KIND=IW_Kind), PARAMETER::phip_Unit = 47 ! phip_unit phiprim is an unformatted file for storing the primitive basis for use by matbas. INTEGER(KIND=IW_Kind), PARAMETER::phid_Unit = 48 ! INTEGER(KIND=IW_Kind), PARAMETER::efun_Unit = 49 ! INTEGER(KIND=IW_Kind), PARAMETER::elm_Unit = 50 ! INTEGER(KIND=IW_Kind), PARAMETER::nmode_Unit = 51 ! INTEGER(KIND=IW_Kind), PARAMETER::progre_Unit = 52 ! INTEGER(KIND=IW_Kind), PARAMETER::umat_Unit = 53 ! INTEGER(KIND=IW_Kind), PARAMETER::sfunfbr_Unit = 54 ! INTEGER(KIND=IW_Kind), PARAMETER::sflvl_Unit2 = 61 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr7 = 67 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr8 = 68 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr11 = 71 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr12 = 72 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr13 = 73 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr14 = 74 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr15 = 75 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr16 = 76 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr17 = 90 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr18 = 91 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr19 = 92 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr20 = 93 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr21 = 94 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr23 = 77 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr24 = 78 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr25 = 82 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr26 = 83 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr27 = 84 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr32 = 79 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr33 = 80 ! INTEGER(KIND=IW_Kind), PARAMETER::dvr22 = 81 ! INTEGER(KIND=IW_Kind), PARAMETER::csv_unit = 82 ! INTEGER(KIND=IW_Kind), PARAMETER::Vee_Unit = 83 ! INTEGER(KIND=IW_Kind), PARAMETER::MTV_Unit = 84 ! !INTEGER(KIND=IW_Kind), PARAMETER::DAF_Unit = 85 ! INTEGER(KIND=IW_Kind), PARAMETER::Bound_Unit = 86 ! !INTEGER(KIND=IW_Kind), PARAMETER::Graf_Unit = 89 ! INTEGER(KIND=IW_Kind), PARAMETER::xdaf_Unit = 90 ! INTEGER(KIND=IW_Kind), PARAMETER::Num_Unit = 91 ! !INTEGER(KIND=IW_Kind), PARAMETER::DBug_Unit = 92 ! !INTEGER(KIND=IW_Kind), PARAMETER::Crit_Unit = 93 ! INTEGER(KIND=IW_Kind), PARAMETER:: IdNames_unit =94 ! !INTEGER(KIND=IW_Kind), PARAMETER:: Time_unit =95 ! INTEGER(KIND=IW_Kind), PARAMETER:: Psi_Unit = 96 ! INTEGER(KIND=IW_Kind), PARAMETER:: Wrons_Unit = 97 ! INTEGER(KIND=IW_Kind), PARAMETER:: Qn_Unit = 98 ! INTEGER(KIND=IW_Kind), PARAMETER:: Angf_Unit = 99 ! INTEGER(KIND=IW_Kind), PARAMETER:: Level0_Unit =100 ! INTEGER(KIND=IW_Kind), PARAMETER:: Levels_Unit =101 ! INTEGER(KIND=IW_Kind), PARAMETER:: ReadPot =102 ! INTEGER(KIND=IW_Kind), PARAMETER:: BCUnit =105 ! INTEGER(KIND=IW_Kind), PARAMETER:: QB_Unit =106 ! INTEGER(KIND=IW_Kind), PARAMETER:: HfOut_Unit =107 ! INTEGER(KIND=IW_Kind), PARAMETER:: HfPlt_Unit =108 ! INTEGER(KIND=IW_Kind), PARAMETER:: Diad_Unit =109 ! INTEGER(KIND=IW_Kind), PARAMETER:: ReadOvr =110 ! INTEGER(KIND=IW_Kind), PARAMETER:: BC_Unit =111 ! INTEGER(KIND=IW_Kind), PARAMETER:: ReadEig =112 ! INTEGER(KIND=IW_Kind), PARAMETER::enerdata_unit =113 ! INTEGER(KIND=IW_Kind), PARAMETER::maindata_unit =114 ! INTEGER(KIND=IW_Kind), PARAMETER:: treal_unit =115 ! INTEGER(KIND=IW_Kind), PARAMETER:: timag_unit =116 ! INTEGER(KIND=IW_Kind), PARAMETER:: opac_unit =117 ! INTEGER(KIND=IW_Kind), PARAMETER:: nj_unit =118 ! INTEGER(KIND=IW_Kind), PARAMETER:: cs_unit =119 ! INTEGER(KIND=IW_Kind), PARAMETER:: probe_unit =120 ! INTEGER(KIND=IW_Kind), PARAMETER:: probqb_unit =121 ! INTEGER(KIND=IW_Kind), PARAMETER:: elev_unit =122 ! INTEGER(KIND=IW_Kind), PARAMETER:: temp_unit =123 ! INTEGER(KIND=IW_Kind), PARAMETER:: tmatrix_unit =124 ! INTEGER(KIND=IW_Kind), PARAMETER:: PotPlot_Unit =125 ! INTEGER(KIND=IW_Kind), PARAMETER:: Graph_Unit =126 ! INTEGER(KIND=IW_Kind), PARAMETER:: Evolv_Unit =127 ! INTEGER(KIND=IW_Kind), PARAMETER:: angeigv_Unit =128 ! INTEGER(KIND=IW_Kind), PARAMETER:: potmat_unit =129 ! INTEGER(KIND=IW_Kind), PARAMETER:: overlap_Unit =130 ! INTEGER(KIND=IW_Kind), PARAMETER:: probfe_unit =131 ! INTEGER(KIND=IW_Kind), PARAMETER:: probse_unit =132 ! INTEGER(KIND=IW_Kind), PARAMETER:: probqbf_unit =133 ! INTEGER(KIND=IW_Kind), PARAMETER:: angbf_unit =134 ! INTEGER(KIND=IW_Kind), PARAMETER:: nonun_unit =135 ! INTEGER(KIND=IW_Kind), PARAMETER:: mainrec_unit =136 ! INTEGER(KIND=IW_Kind), PARAMETER:: chanrec_unit =137 ! INTEGER(KIND=IW_Kind), PARAMETER:: enerrec_unit =138 ! INTEGER(KIND=IW_Kind), PARAMETER:: angeigf_Unit =139 ! INTEGER(KIND=IW_Kind), PARAMETER:: Debug_Unit =140 ! INTEGER(KIND=IW_Kind), PARAMETER:: dia2ad_unit =141 ! INTEGER(KIND=IW_Kind), PARAMETER:: potmatsvd_unit =142 ! INTEGER(KIND=IW_Kind), PARAMETER:: potmatdbs_unit =143 ! INTEGER(KIND=IW_Kind), PARAMETER:: rmat_unit = 144 ! INTEGER(KIND=IW_Kind), PARAMETER:: masses_unit = 145 ! INTEGER(KIND=IW_Kind), PARAMETER:: id_unit = 146 ! INTEGER(KIND=IW_Kind), PARAMETER:: plvls_unit = 147 ! INTEGER(KIND=IW_Kind), PARAMETER:: psi_grace_unit = 148 ! INTEGER(KIND=IW_Kind), PARAMETER::prob_grace_unit = 149 ! INTEGER(KIND=IW_Kind), PARAMETER:: CID_Cond =150 ! INTEGER(KIND=IW_Kind), PARAMETER:: ovlp_unit = 241 ! INTEGER(KIND=IW_Kind), PARAMETER:: ovlp_ref_unit = 242 ! INTEGER(KIND=IW_Kind), PARAMETER:: ovlp_sort= 243 ! INTEGER(KIND=IW_Kind), PARAMETER:: ham_mat_unit = 244 ! INTEGER(KIND=IW_Kind), PARAMETER:: eig_dif_unit = 245 ! INTEGER(KIND=IW_Kind), PARAMETER:: eig_prev_unit = 246 ! INTEGER(KIND=IW_Kind), PARAMETER:: eig_new_unit = 247 ! INTEGER(KIND=IW_Kind), PARAMETER:: ovlp_unit_2= 248 ! INTEGER(KIND=IW_Kind), PARAMETER:: ovlp_ref_unit_2=249 ! INTEGER(KIND=IW_Kind), PARAMETER:: bounde_unit = 250 ! INTEGER(KIND=IW_Kind), PARAMETER:: replace_unit = 251 ! INTEGER(KIND=IW_Kind), PARAMETER:: partial_repalce_unit =252 ! INTEGER(KIND=IW_Kind), PARAMETER:: tpgrace_unit = 253 ! INTEGER(KIND=IW_Kind), PARAMETER:: Jacbas_Unit = 254 ! Jacobi diatomic vibrational and rotational basis functions and eigenenergies INTEGER(KIND=IW_Kind), PARAMETER:: Delbas_Unit = 255 ! Delves diatomic vibrational and rotational basis functions and eigenenergies at rho=RStartJacobi INTEGER(KIND=IW_Kind), PARAMETER:: Rmat_APH_unit =743 INTEGER(KIND=IW_Kind), PARAMETER:: REmat_APH_unit =744 INTEGER(KIND=IW_Kind), PARAMETER:: DiaAdia_Bin_Unit =937 ! Binary file used in PrCorr for diabatic and adiabatic energy levels INTEGER(KIND=IW_Kind), PARAMETER:: DVR_Elevels_unit =938 ! DVR Energy Levels INTEGER(KIND=IW_Kind), PARAMETER:: FEM_SF_Bin_unit =939 ! Finite element surface functions INTEGER(KIND=IW_Kind), PARAMETER:: GridNodes_unit =940 ! Grid Nodes unit INTEGER(KIND=IW_Kind), PARAMETER:: GridDebug_unit =941 ! Grid Debug unit INTEGER(KIND=IW_Kind), PARAMETER:: Rho_Chi_Plt_Unit =942 ! Rho_Chi Plotting unit INTEGER(KIND=IW_Kind), PARAMETER:: Rho_Theta_Plt_unit =943 ! Rho_Theta Plotting unit INTEGER(KIND=IW_Kind), PARAMETER:: Theta_Chi_Plt_unit =944 ! Theta_Chi Plotting unit INTEGER(KIND=IW_Kind), PARAMETER:: Compare_APH_Jac_Unit =945 ! Comparison of ABM and Jacobi energies INTEGER(KIND=IW_Kind), PARAMETER:: Eaph_Unit =946 ! Eaph_Unit INTEGER(KIND=IW_Kind), PARAMETER:: Pot_Bin_unit =947 ! Binary file for potential INTEGER(KIND=IW_Kind), PARAMETER:: wrmod_unit =950 ! INTEGER(KIND=IW_Kind), PARAMETER:: OVR_FEM_unit =951 ! FEM Overlap Matrix INTEGER(KIND=IW_Kind), PARAMETER:: Theta_Chi_Con_unit =952 ! Theta_Chi Contours INTEGER(KIND=IW_Kind), PARAMETER:: Theta_Chi_ConGF_unit =953 ! Theta_Chi Contours graph file INTEGER(KIND=IW_Kind), PARAMETER:: Coriolis_FEM_unit =954 INTEGER(KIND=IW_Kind), PARAMETER:: Diatomic_Pot_unit =955 ! Binary unit for diatomic potentials INTEGER(KIND=IW_Kind), PARAMETER:: Pmatrx_FEM_unit =956 INTEGER(KIND=IW_Kind), PARAMETER:: APH_Quant_Bin_unit =957 INTEGER(KIND=IW_Kind), PARAMETER:: Msher_Bin_unit =958 INTEGER(KIND=IW_Kind), PARAMETER:: TP_Graph_unit =959 INTEGER(KIND=IW_Kind), PARAMETER:: EPsi_Graph_unit =960 INTEGER(KIND=IW_Kind), PARAMETER:: Psi_Bin_unit =961 INTEGER(KIND=IW_Kind), PARAMETER:: Psi_Graph_unit =962 INTEGER(KIND=IW_Kind), PARAMETER:: Sol_Bin_unit =963 INTEGER(KIND=IW_Kind), PARAMETER:: Msglcz_unit =964 INTEGER(KIND=IW_Kind), PARAMETER:: GFunction_unit =965 INTEGER(KIND=IW_Kind), PARAMETER:: Intrp1_FEM_unit =966 INTEGER(KIND=IW_Kind), PARAMETER:: Intrp2_FEM_unit =967 INTEGER(KIND=IW_Kind), PARAMETER:: DBug_Surm_unit =968 INTEGER(KIND=IW_Kind), PARAMETER:: Zromsh_Bin_unit =969 INTEGER(KIND=IW_Kind), PARAMETER:: Mapmsh_Bin_unit =970 INTEGER(KIND=IW_Kind), PARAMETER:: Track_unit =971 INTEGER(KIND=IW_Kind), PARAMETER:: PotDat_Bin_unit =972 INTEGER(KIND=IW_Kind), PARAMETER:: TempNode_Bin_unit =973 INTEGER(KIND=IW_Kind), PARAMETER:: OldMsh_unit =974 INTEGER(KIND=IW_Kind), PARAMETER:: Pot_Graph_unit =975 INTEGER(KIND=IW_Kind), PARAMETER:: FEM_TO_ABM_unit =976 INTEGER(KIND=IW_Kind), PARAMETER:: CC2dtemp_unit =977 INTEGER(KIND=IW_Kind), PARAMETER:: ZroMeg_unit =978 INTEGER(KIND=IW_Kind), PARAMETER:: Nzromg_unit =979 INTEGER(KIND=IW_Kind), PARAMETER:: GLabel_unit =980 INTEGER(KIND=IW_Kind), PARAMETER:: Label1_unit =981 INTEGER(KIND=IW_Kind), PARAMETER:: Label2_unit =982 INTEGER(KIND=IW_Kind), PARAMETER:: PhiRms1_unit =983 INTEGER(KIND=IW_Kind), PARAMETER:: PhiRms2_unit =984 INTEGER(KIND=IW_Kind), PARAMETER:: ABM_OR_FEM_TO_ABM_unit =985 INTEGER(KIND=IW_Kind), PARAMETER:: PotMatrx_ABM_unit =986 INTEGER(KIND=IW_Kind), PARAMETER:: PotMatrx_unit =987 INTEGER(KIND=IW_Kind), PARAMETER:: Oliver_unit =988 INTEGER(KIND=IW_Kind), PARAMETER:: PotMatrx_FEM_unit =989 INTEGER(KIND=IW_Kind), PARAMETER:: Plot_txt_unit =990 INTEGER(KIND=IW_Kind), PARAMETER:: Plot_dat_unit =991 INTEGER(KIND=IW_Kind), PARAMETER:: SFLevel_unit =992 INTEGER(KIND=IW_Kind), PARAMETER:: DVR_OR_FEM_Ovrlp_unit =993 INTEGER(KIND=IW_Kind), PARAMETER:: Ovrlp_FEM_unit =994 INTEGER(KIND=IW_Kind), PARAMETER:: Lancos80_unit =995 INTEGER(KIND=IW_Kind), PARAMETER:: Lancos81_unit =996 INTEGER(KIND=IW_Kind), PARAMETER:: Setbasis_Bin_unit =997 INTEGER(KIND=IW_Kind), PARAMETER:: Diag_Jtot_FEM_unit =901 INTEGER(KIND=IW_Kind), PARAMETER:: Diag_Lambda_FEM_unit =902 INTEGER(KIND=IW_Kind), PARAMETER:: Asym_Top_FEM_unit =903 INTEGER(KIND=IW_Kind), PARAMETER:: Tidi_unit =904 INTEGER(KIND=IW_Kind), PARAMETER:: LWO_unit =905 INTEGER(KIND=IW_Kind), PARAMETER:: WgPairsDiabatic_unit =906 INTEGER(KIND=IW_Kind), PARAMETER:: WgReadyDiabatic_unit =907 INTEGER(KIND=IW_Kind), PARAMETER:: DiabaticLevels_unit =908 INTEGER(KIND=IW_Kind), PARAMETER:: WgTableDiabatic_unit =909 INTEGER(KIND=IW_Kind), PARAMETER:: WgDiatomDiabatic_unit =910 INTEGER(KIND=IW_Kind), PARAMETER:: DiabaticLevels_CSV_unit =911 INTEGER(KIND=IW_Kind), PARAMETER:: DiabaticLevelsInfo_CSV_unit =4911 INTEGER(KIND=IW_Kind), PARAMETER:: Pictre_Bin_unit =912 INTEGER(KIND=IW_Kind), PARAMETER:: Gamma_unit =913 INTEGER(KIND=IW_Kind), PARAMETER:: Lancos_Phi_unit =914 INTEGER(KIND=IW_Kind), PARAMETER:: Ntheta2_Data_unit =915 INTEGER(KIND=IW_Kind), PARAMETER:: PlotVecs_unit =916 INTEGER(KIND=IW_Kind), PARAMETER:: Relax_unit =917 INTEGER(KIND=IW_Kind), PARAMETER:: ElmDef_Unit =918 INTEGER(KIND=IW_Kind), PARAMETER:: Nmodes_FEM_Bin_Unit = 919 INTEGER(KIND=IW_Kind), PARAMETER:: LW_Motion_Unit = 920 INTEGER(KIND=IW_Kind), PARAMETER:: pA_mot_Unit= 930 INTEGER(KIND=IW_Kind), PARAMETER:: pB_mot_Unit= 931 INTEGER(KIND=IW_Kind), PARAMETER:: pC_mot_Unit= 932 INTEGER(KIND=IW_Kind), PARAMETER:: Hamil_FEM_Unit = 933 INTEGER(KIND=IW_Kind), PARAMETER:: s_Unit = 934 INTEGER(KIND=IW_Kind), PARAMETER:: tn_Unit =935 INTEGER(KIND=IW_Kind), PARAMETER:: eigfuns_Unit =936 INTEGER(KIND=IW_Kind), PARAMETER:: SOvrlp_Unit =837 INTEGER(KIND=IW_Kind), PARAMETER:: Temp1_FEM_Unit =838 INTEGER(KIND=IW_Kind), PARAMETER:: Temp2_FEM_Unit =839 INTEGER(KIND=IW_Kind), PARAMETER:: Spin_Unit =840 INTEGER(KIND=IW_Kind), PARAMETER:: MathPoly_Unit =841 INTEGER(KIND=IW_Kind), PARAMETER:: Ovrlp_Bin_Unit =842 INTEGER(KIND=IW_Kind), PARAMETER:: PotMatrix_Bin_Unit =843 INTEGER(KIND=IW_Kind), PARAMETER:: TestPot_Unit =844 INTEGER(KIND=IW_Kind), PARAMETER:: Table4_dat_Unit =845 INTEGER(KIND=IW_Kind), PARAMETER:: e2d_new_Unit = 846 INTEGER(KIND=IW_Kind), PARAMETER:: FEM_Ovrlp_Unit=847 INTEGER(KIND=IW_Kind), PARAMETER:: sb_Unit = 848 INTEGER(KIND=IW_Kind), PARAMETER:: Method_data_Unit=849 INTEGER(KIND=IW_Kind), PARAMETER:: Plmst_Unit=850 INTEGER(KIND=IW_Kind), PARAMETER:: Basis_Bin_Unit = 852 INTEGER(KIND=IW_Kind), PARAMETER:: UFMat_Unit =1000 INTEGER(KIND=IW_Kind), PARAMETER:: NOpenMAX_Unit =1001 ! 80 - 90 reserved in replacebound.f90 ! 91-95 reserved in orthonormalize_ham END MODULE FileUnits_Module