$ SET NOVERIFY %DCL-W-UNDSYM, undefined symbol - check validity and spelling %DCL-W-PARMDEL, invalid parameter delimiter - check use of special characters \$\ $ IF "BATCH" .EQS. "BATCH" THEN EXIT $SETC2 $FOR/LIS C23DALINE $TYPE C23DALINE 18-Nov-2004 21:17:50 VAX FORTRAN V5.4-79 Page 1 18-Nov-2004 21:08:32 KU6E:[KURUCZ.C2]C23DALINE.FOR;25 0001 PROGRAM C23BALINE 0002 C 3A 3PI U IS THE E STATE 0003 C 3D 3PI G IS THE EP STATE 0004 C THIS PROGRAM TREATS ALL LEVELS AS BEING LAMBDA DOUBLED E AND F LEVELS 0005 C LINES TO NON-EXISTENT SIGMA STATES ARE NOT COMPUTED 0006 C 0007 C WRITTEN FOR C2. PARITY AND SYMMETRY SHOULD BE CHECKED FOR OTHERS. 0008 C 0009 REAL*8 EEP(3,190,41),EFP(3,190,41),EE(3,190,41),EF(3,190,41) 0010 REAL*4 PAREP(3,190,41),PARFP(3,190,41) 0011 REAL*4 PARE(3,190,41),PARF(3,190,41) 0012 REAL*4 FACTEP(3,190,41),FACTFP(3,190,41) 0013 REAL*4 FACTE(3,190,41),FACTF(3,190,41) 0014 REAL*8 ELAB(3,41),FLAB(3,41),ELABP(3,41),FLABP(3,41) 0015 REAL*8 EPLUS(7),EMINUS(7) 0016 REAL*8 E,EP,WL,WAVEN 0017 REAL*8 LABEL(2),LABELP(2) 0018 DIMENSION ESIGMA(7),FSIGMA(7) 0019 INTEGER V,VP 0020 REAL*4 INUCLEAR 0021 DIMENSION HONL(3,3,190,25,3) 0022 DIMENSION QVV(41,41),FELVV(41,41),FQVV(41,41),WAVNOVV(41,41), 0023 1RCENT(41,41),RESQ(41,41) 0024 DIMENSION BOLT(190,41),BOLTP(190,41) 0025 DATA ELAB/ 0026 1 6H3A00E1,6H3A00E2,6H3A00E3,6H3A01E1,6H3A01E2,6H3A01E3, 0027 2 6H3A02E1,6H3A02E2,6H3A02E3,6H3A03E1,6H3A03E2,6H3A03E3, 0028 3 6H3A04E1,6H3A04E2,6H3A04E3,6H3A05E1,6H3A05E2,6H3A05E3, 0029 4 6H3A06E1,6H3A06E2,6H3A06E3,6H3A07E1,6H3A07E2,6H3A07E3, 0030 5 6H3A08E1,6H3A08E2,6H3A08E3,6H3A09E1,6H3A09E2,6H3A09E3, 0031 6 6H3A10E1,6H3A10E2,6H3A10E3,6H3A11E1,6H3A11E2,6H3A11E3, 0032 7 6H3A12E1,6H3A12E2,6H3A12E3,6H3A13E1,6H3A13E2,6H3A13E3, 0033 8 6H3A14E1,6H3A14E2,6H3A14E3,6H3A15E1,6H3A15E2,6H3A15E3, 0034 9 6H3A16E1,6H3A16E2,6H3A16E3,6H3A17E1,6H3A17E2,6H3A17E3, 0035 A 6H3A18E1,6H3A18E2,6H3A18E3,6H3A19E1,6H3A19E2,6H3A19E3, 0036 1 6H3A20E1,6H3A20E2,6H3A20E3,6H3A21E1,6H3A21E2,6H3A21E3, 0037 2 6H3A22E1,6H3A22E2,6H3A22E3,6H3A23E1,6H3A23E2,6H3A23E3, 0038 3 6H3A24E1,6H3A24E2,6H3A24E3,6H3A25E1,6H3A25E2,6H3A25E3, 0039 4 6H3A26E1,6H3A26E2,6H3A26E3,6H3A27E1,6H3A27E2,6H3A27E3, 0040 5 6H3A28E1,6H3A28E2,6H3A28E3,6H3A29E1,6H3A29E2,6H3A29E3, 0041 6 6H3A30E1,6H3A30E2,6H3A30E3,6H3A31E1,6H3A31E2,6H3A31E3, 0042 7 6H3A32E1,6H3A32E2,6H3A32E3,6H3A33E1,6H3A33E2,6H3A33E3, 0043 8 6H3A34E1,6H3A34E2,6H3A34E3,6H3A35E1,6H3A35E2,6H3A35E3, 0044 9 6H3A36E1,6H3A36E2,6H3A36E3,6H3A37E1,6H3A37E2,6H3A37E3, 0045 A 6H3A38E1,6H3A38E2,6H3A38E3,6H3A39E1,6H3A39E2,6H3A39E3, 0046 1 6H3A40E1,6H3A40E2,6H3A40E3/ 0047 DATA FLAB/ 0048 1 6H3A00F1,6H3A00F2,6H3A00F3,6H3A01F1,6H3A01F2,6H3A01F3, 0049 2 6H3A02F1,6H3A02F2,6H3A02F3,6H3A03F1,6H3A03F2,6H3A03F3, 0050 3 6H3A04F1,6H3A04F2,6H3A04F3,6H3A05F1,6H3A05F2,6H3A05F3, 0051 4 6H3A06F1,6H3A06F2,6H3A06F3,6H3A07F1,6H3A07F2,6H3A07F3, 0052 5 6H3A08F1,6H3A08F2,6H3A08F3,6H3A09F1,6H3A09F2,6H3A09F3, 0053 6 6H3A10F1,6H3A10F2,6H3A10F3,6H3A11F1,6H3A11F2,6H3A11F3, 0054 7 6H3A12F1,6H3A12F2,6H3A12F3,6H3A13F1,6H3A13F2,6H3A13F3, 0055 8 6H3A14F1,6H3A14F2,6H3A14F3,6H3A15F1,6H3A15F2,6H3A15F3, 0056 9 6H3A16F1,6H3A16F2,6H3A16F3,6H3A17F1,6H3A17F2,6H3A17F3, 0057 A 6H3A18F1,6H3A18F2,6H3A18F3,6H3A19F1,6H3A19F2,6H3A19F3, C23BALINE 18-Nov-2004 21:17:50 VAX FORTRAN V5.4-79 Page 2 18-Nov-2004 21:08:32 KU6E:[KURUCZ.C2]C23DALINE.FOR;25 0058 1 6H3A20F1,6H3A20F2,6H3A20F3,6H3A21F1,6H3A21F2,6H3A21F3, 0059 2 6H3A22F1,6H3A22F2,6H3A22F3,6H3A23F1,6H3A23F2,6H3A23F3, 0060 3 6H3A24F1,6H3A24F2,6H3A24F3,6H3A25F1,6H3A25F2,6H3A25F3, 0061 4 6H3A26F1,6H3A26F2,6H3A26F3,6H3A27F1,6H3A27F2,6H3A27F3, 0062 5 6H3A28F1,6H3A28F2,6H3A28F3,6H3A29F1,6H3A29F2,6H3A29F3, 0063 6 6H3A30F1,6H3A30F2,6H3A30F3,6H3A31F1,6H3A31F2,6H3A31F3, 0064 7 6H3A32F1,6H3A32F2,6H3A32F3,6H3A33F1,6H3A33F2,6H3A33F3, 0065 8 6H3A34F1,6H3A34F2,6H3A34F3,6H3A35F1,6H3A35F2,6H3A35F3, 0066 9 6H3A36F1,6H3A36F2,6H3A36F3,6H3A37F1,6H3A37F2,6H3A37F3, 0067 A 6H3A38F1,6H3A38F2,6H3A38F3,6H3A39F1,6H3A39F2,6H3A39F3, 0068 1 6H3A40F1,6H3A40F2,6H3A40F3/ 0069 DATA ELABP/ 0070 1 6H3D00E1,6H3D00E2,6H3D00E3,6H3D01E1,6H3D01E2,6H3D01E3, 0071 2 6H3D02E1,6H3D02E2,6H3D02E3,6H3D03E1,6H3D03E2,6H3D03E3, 0072 3 6H3D04E1,6H3D04E2,6H3D04E3,6H3D05E1,6H3D05E2,6H3D05E3, 0073 4 6H3D06E1,6H3D06E2,6H3D06E3,6H3D07E1,6H3D07E2,6H3D07E3, 0074 5 6H3D08E1,6H3D08E2,6H3D08E3,6H3D09E1,6H3D09E2,6H3D09E3, 0075 6 6H3D10E1,6H3D10E2,6H3D10E3,6H3D11E1,6H3D11E2,6H3D11E3, 0076 7 6H3D12E1,6H3D12E2,6H3D12E3,6H3D13E1,6H3D13E2,6H3D13E3, 0077 8 6H3D14E1,6H3D14E2,6H3D14E3,6H3D15E1,6H3D15E2,6H3D15E3, 0078 9 6H3D16E1,6H3D16E2,6H3D16E3,6H3D17E1,6H3D17E2,6H3D17E3, 0079 D 6H3D18E1,6H3D18E2,6H3D18E3,6H3D19E1,6H3D19E2,6H3D19E3, 0080 1 6H3D20E1,6H3D20E2,6H3D20E3,6H3D21E1,6H3D21E2,6H3D21E3, 0081 2 6H3D22E1,6H3D22E2,6H3D22E3,6H3D23E1,6H3D23E2,6H3D23E3, 0082 3 6H3D24E1,6H3D24E2,6H3D24E3,6H3D25E1,6H3D25E2,6H3D25E3, 0083 4 6H3D26E1,6H3D26E2,6H3D26E3,6H3D27E1,6H3D27E2,6H3D27E3, 0084 5 6H3D28E1,6H3D28E2,6H3D28E3,6H3D29E1,6H3D29E2,6H3D29E3, 0085 6 6H3D30E1,6H3D30E2,6H3D30E3,6H3D31E1,6H3D31E2,6H3D31E3, 0086 7 6H3D32E1,6H3D32E2,6H3D32E3,6H3D33E1,6H3D33E2,6H3D33E3, 0087 8 6H3D34E1,6H3D34E2,6H3D34E3,6H3D35E1,6H3D35E2,6H3D35E3, 0088 9 6H3D36E1,6H3D36E2,6H3D36E3,6H3D37E1,6H3D37E2,6H3D37E3, 0089 D 6H3D38E1,6H3D38E2,6H3D38E3,6H3D39E1,6H3D39E2,6H3D39E3, 0090 1 6H3D40E1,6H3D40E2,6H3D40F3/ 0091 DATA FLABP/ 0092 1 6H3D00F1,6H3D00F2,6H3D00F3,6H3D01F1,6H3D01F2,6H3D01F3, 0093 2 6H3D02F1,6H3D02F2,6H3D02F3,6H3D03F1,6H3D03F2,6H3D03F3, 0094 3 6H3D04F1,6H3D04F2,6H3D04F3,6H3D05F1,6H3D05F2,6H3D05F3, 0095 4 6H3D06F1,6H3D06F2,6H3D06F3,6H3D07F1,6H3D07F2,6H3D07F3, 0096 5 6H3D08F1,6H3D08F2,6H3D08F3,6H3D09F1,6H3D09F2,6H3D09F3, 0097 6 6H3D10F1,6H3D10F2,6H3D10F3,6H3D11F1,6H3D11F2,6H3D11F3, 0098 7 6H3D12F1,6H3D12F2,6H3D12F3,6H3D13F1,6H3D13F2,6H3D13F3, 0099 8 6H3D14F1,6H3D14F2,6H3D14F3,6H3D15F1,6H3D15F2,6H3D15F3, 0100 9 6H3D16F1,6H3D16F2,6H3D16F3,6H3D17F1,6H3D17F2,6H3D17F3, 0101 D 6H3D18F1,6H3D18F2,6H3D18F3,6H3D19F1,6H3D19F2,6H3D19F3, 0102 1 6H3D20F1,6H3D20F2,6H3D20F3,6H3D21F1,6H3D21F2,6H3D21F3, 0103 2 6H3D22F1,6H3D22F2,6H3D22F3,6H3D23F1,6H3D23F2,6H3D23F3, 0104 3 6H3D24F1,6H3D24F2,6H3D24F3,6H3D25F1,6H3D25F2,6H3D25F3, 0105 4 6H3D26F1,6H3D26F2,6H3D26F3,6H3D27F1,6H3D27F2,6H3D27F3, 0106 5 6H3D28F1,6H3D28F2,6H3D28F3,6H3D29F1,6H3D29F2,6H3D29F3, 0107 6 6H3D30F1,6H3D30F2,6H3D30F3,6H3D31F1,6H3D31F2,6H3D31F3, 0108 7 6H3D32F1,6H3D32F2,6H3D32F3,6H3D33F1,6H3D33F2,6H3D33F3, 0109 8 6H3D34F1,6H3D34F2,6H3D34F3,6H3D35F1,6H3D35F2,6H3D35F3, 0110 9 6H3D36F1,6H3D36F2,6H3D36F3,6H3D37F1,6H3D37F2,6H3D37F3, 0111 D 6H3D38F1,6H3D38F2,6H3D38F3,6H3D39F1,6H3D39F2,6H3D39F3, 0112 1 6H3D40F1,6H3D40F2,6H3D40F3/ 0113 DATA LABEL,LABELP/8H ,2H ,8H ,2H / 0114 DATA FQVV/1681*0./ C23BALINE 18-Nov-2004 21:17:50 VAX FORTRAN V5.4-79 Page 3 18-Nov-2004 21:08:32 KU6E:[KURUCZ.C2]C23DALINE.FOR;25 0115 DATA ESIGMA/1.,0.,1.,0.,1.,0.,1./ 0116 DATA FSIGMA/0.,1.,0.,1.,0.,1.,0./ 0117 OPEN(UNIT=1,READONLY,STATUS='OLD',FORM='UNFORMATTED', 0118 1BLOCKSIZE=8192) 0119 OPEN(UNIT=2,READONLY,STATUS='OLD') 0120 OPEN(UNIT=4,READONLY,STATUS='OLD') 0121 OPEN(UNIT=5,READONLY,STATUS='OLD') 0122 OPEN(UNIT=14,READONLY,STATUS='OLD') 0123 OPEN(UNIT=15,READONLY,STATUS='OLD') 0124 CODE=606. 0125 NV=41 0126 NVP=25 0127 MULT=3 0128 NJ=190 0129 NJP=190 0130 FIXJ=1. 0131 LABP=1HD 0132 LAB=1HA 0133 PAR=1. 0134 PARP=1. 0135 IFSIG=0 0136 IFSIGP=0 0137 C UG=1. FOR A G STATE, -1. FOR A U STATE, 1. FOR HETERONUCLEAR 0138 UG=-1. 0139 UGP=1. 0140 EDISSOC=50100. 0141 EDISSOCP=50100. 0142 ECUT=40000. 0143 C 0144 C OUR HONL-LONDON FACTORS SUM TO 2J+1 FOR ANY LEVEL 0145 C 0146 C GF = (8*PI**2*M*FREQ)/(3*H*E**2)*RE**2*QVV*HONL*GSIGPI 0147 C 0148 C WHERE GSIGPI = 2 FOR A SIGMA-PI OR PI-SIGMA TRANSITION AND 0149 C = 1 OTHERWISE 0150 C 0151 C GF = 3.0376E-6*ABS(WAVENO)*RE**2*QVV*HONL*GSIGPI 0152 C 0153 C WE DEFINE THE QUANTITY FELVV = 3.0376E-6*ABS(WAVENOVV)*REVV**2*GSIGPI 0154 C 0155 C SO THAT GF = FELVV*QVV*HONL = FQVV*HONL 0156 C 0157 GSIGPI=1. 0158 DO 9 I=1,2000 0159 READ(5,1,END=10)VP,V,WAVNO,FCF,R 0160 1 FORMAT(I2,I2,F10.2,E11.4,11X,E13.5) 0161 IVP=VP+1 0162 IV=V+1 0163 QVV(IVP,IV)=FCF 0164 WAVNOVV(IVP,IV)=WAVNO 0165 RCENT(IVP,IV)=R 0166 C FROM COOPER AND NICHOLLS NO RCENT DEPENDENCE 0167 RESQ(IVP,IV)=3.52/FLOAT(MULT)/2. 0168 FELVV(IVP,IV)=3.0376E-6*ABS(WAVNOVV(IVP,IV))*RESQ(IVP,IV)*GSIGPI 0169 FQVV(IVP,IV)=FELVV(IVP,IV)*QVV(IVP,IV) 0170 PRINT 2,VP,V,WAVNOVV(IVP,IV),QVV(IVP,IV),RCENT(IVP,IV),R, 0171 1RESQ(IVP,IV),FELVV(IVP,IV),FQVV(IVP,IV) C23BALINE 18-Nov-2004 21:17:50 VAX FORTRAN V5.4-79 Page 4 18-Nov-2004 21:08:32 KU6E:[KURUCZ.C2]C23DALINE.FOR;25 0172 2 FORMAT(2I3,F15.2,1PE13.4,0P2F9.4,F8.4,1P2E13.4) 0173 9 CONTINUE 0174 10 CONTINUE 0175 C 0176 DO 500 ISO=1,3 0177 NLINE=0 0178 ISOTAPE=33 0179 C IF(ISO.EQ.1)ISOTAPE=33 0180 C IF(ISO.EQ.2)ISOTAPE=34 0181 C IF(ISO.EQ.3)ISOTAPE=35 0182 C OPEN(UNIT=ISOTAPE,FORM='UNFORMATTED',BLOCKSIZE=7000,RECORDSIZE=14, 0183 C 1RECORDTYPE='FIXED',STATUS='NEW') 0184 GFLIM=1.001E-7 0185 IF(ISO.EQ.2)GFLIM=1.001E-5 0186 IF(ISO.EQ.3)GFLIM=1.001E-5 0187 LABELP(2)=2H12 0188 IF(ISO.EQ.2)LABELP(2)=2H13 0189 IF(ISO.EQ.3)LABELP(2)=2H33 0190 C 0191 C COMPUTE PARITIES 0192 C IN THIS PROGRAM THE PARITY IS SPECIFIED BY SETTING PARE(1,1,1) = PAR 0193 C AND PAREP(1,1,1) = PARP = +1. OR -1. WHETHER THOSE LEVELS EXIST OR NOT 0194 C PARE(1,1,1) HAS THE SAME PARITY AS PARE(K,1,1) AND PARE(K,ODD IJ,1) 0195 C PARF(1,1,1) HAS THE OPPOSITE PARITY TO PARE(1,1,1) 0196 DO 130 IV=1,NV 0197 S=-1. 0198 DO 130 IJ=1,NJ 0199 S=-S 0200 DO 130 K=1,MULT 0201 PARE(K,IJ,IV)=PAR*S 0202 130 PARF(K,IJ,IV)=-PAR*S 0203 DO 131 IV=1,NV 0204 S=-1. 0205 DO 131 IJ=1,NJ 0206 S=-S 0207 DO 131 K=1,MULT 0208 PAREP(K,IJ,IV)=PARP*S 0209 131 PARFP(K,IJ,IV)=-PARP*S 0210 C 0211 C COMPUTE SYMMETRY FACTORS FOR 12C12C 12C13C 13C13C 0212 ASYMFACT=1. 0213 SSYMFACT=1. 0214 IF(ISO.EQ.1)THEN 0215 INUCLEAR=0. 0216 ASYMFACT=INUCLEAR/(2.*INUCLEAR+1.) 0217 SSYMFACT=(INUCLEAR+1.)/(2.*INUCLEAR+1.) 0218 ENDIF 0219 IF(ISO.EQ.3)THEN 0220 INUCLEAR=0.5 0221 ASYMFACT=(INUCLEAR+1.)/(2.*INUCLEAR+1.) 0222 SSYMFACT=INUCLEAR/(2.*INUCLEAR+1.) 0223 ENDIF 0224 DO 122 IV=1,NV 0225 DO 122 IJ=1,NJ 0226 DO 122 K=1,MULT 0227 IF(PARE(K,IJ,IV).EQ.-UG)FACTE(K,IJ,IV)=ASYMFACT 0228 IF(PARE(K,IJ,IV).EQ.+UG)FACTE(K,IJ,IV)=SSYMFACT C23BALINE 18-Nov-2004 21:17:50 VAX FORTRAN V5.4-79 Page 5 18-Nov-2004 21:08:32 KU6E:[KURUCZ.C2]C23DALINE.FOR;25 0229 IF(PARF(K,IJ,IV).EQ.-UG)FACTF(K,IJ,IV)=ASYMFACT 0230 IF(PARF(K,IJ,IV).EQ.+UG)FACTF(K,IJ,IV)=SSYMFACT 0231 122 CONTINUE 0232 DO 123 IVP=1,NVP 0233 DO 123 IJP=1,NJP 0234 DO 123 KP=1,MULT 0235 IF(PAREP(KP,IJP,IVP).EQ.-UGP)FACTEP(KP,IJP,IVP)=ASYMFACT 0236 IF(PAREP(KP,IJP,IVP).EQ.+UGP)FACTEP(KP,IJP,IVP)=SSYMFACT 0237 IF(PARFP(KP,IJP,IVP).EQ.-UGP)FACTFP(KP,IJP,IVP)=ASYMFACT 0238 IF(PARFP(KP,IJP,IVP).EQ.+UGP)FACTFP(KP,IJP,IVP)=SSYMFACT 0239 123 CONTINUE 0240 C 0241 C DELETE EXTRA LEVELS FOR SIGMA STATES 0242 IF(IFSIG.EQ.0)GO TO 127 0243 DO 125 IV=1,NV 0244 DO 125 IJ=1,NJ 0245 DO 125 K=1,MULT 0246 FACTE(K,IJ,IV)=ESIGMA(K)*FACTE(K,IJ,IV) 0247 FACTF(K,IJ,IV)=FSIGMA(K)*FACTF(K,IJ,IV) 0248 125 CONTINUE 0249 127 IF(IFSIGP.EQ.0)GO TO 129 0250 DO 128 IVP=1,NVP 0251 DO 128 IJP=1,NJP 0252 DO 128 KP=1,MULT 0253 FACTEP(KP,IJP,IVP)=ESIGMA(KP)*FACTEP(KP,IJP,IVP) 0254 FACTFP(KP,IJP,IVP)=FSIGMA(KP)*FACTFP(KP,IJP,IVP) 0255 128 CONTINUE 0256 129 CONTINUE 0257 C 0258 C READ E LEVELS 0259 READ(4,3) 0260 READ(4,3) 0261 READ(4,3) 0262 DO 115 ILEVS=1,10000 0263 READ(4,3)V,XJ,(EPLUS(K),EMINUS(K),K=1,MULT) 0264 IF(V.LT.0)GO TO 103 0265 IJ=XJ+1. 0266 IF(IJ.GT.190)GO TO 115 0267 IV=V+1 0268 DO 15 K=1,MULT 0269 IF(EPLUS(K).EQ.0.)GO TO 16 0270 C THE ENERGIES ARE SET NEGATIVE ON THE ASSUMPTION THAT THEY ARE UNRELIABLE 0271 IF(PARE(K,IJ,IV).EQ.+1.)EE(K,IJ,IV)=-EPLUS(K) 0272 IF(PARF(K,IJ,IV).EQ.+1.)EF(K,IJ,IV)=-EPLUS(K) 0273 16 IF(EMINUS(K).EQ.0.)GO TO 15 0274 IF(PARE(K,IJ,IV).EQ.-1.)EE(K,IJ,IV)=-EMINUS(K) 0275 IF(PARF(K,IJ,IV).EQ.-1.)EF(K,IJ,IV)=-EMINUS(K) 0276 15 CONTINUE 0277 BOLT(IJ,IV)=EXP(-ABS(EE(MULT,IJ,IV))/4000.) 0278 115 CONTINUE 0279 103 CONTINUE 0280 C 0281 C READ IN EXACT ENERGY LEVELS FROM AMIOT ET AL 0282 IF(ISO.GT.1)GO TO 1116 0283 DO 1115 ILEVS=1,10000 0284 READ(15,1114,END=1116)JFV,E 0285 1114 FORMAT(I12,F13.5) C23BALINE 18-Nov-2004 21:17:50 VAX FORTRAN V5.4-79 Page 6 18-Nov-2004 21:08:32 KU6E:[KURUCZ.C2]C23DALINE.FOR;25 0286 IEF=JFV/100000 0287 JFV=JFV-IEF*100000 0288 V=JFV/10000 0289 JFV=JFV-V*10000 0290 K=JFV/1000 0291 JFV=JFV-K*1000 0292 IJ=JFV+1 0293 IV=V+1 0294 ABSE=ABS(E) 0295 IF(K.EQ.1)ABSE=ABSE-.072 0296 IF(K.EQ.2)ABSE=ABSE-.473 0297 IF(K.EQ.3)ABSE=ABSE-.884 0298 IF(IEF.EQ.1.OR.IEF.EQ.0)EE(K,IJ,IV)=ABSE 0299 IF(IEF.EQ.2.OR.IEF.EQ.0)EF(K,IJ,IV)=ABSE 0300 1115 CONTINUE 0301 1116 CONTINUE 0302 C 0303 C PRINT E LEVELS 0304 DO 112 IV=1,NV 0305 V=IV-1 0306 PRINT 8,(ELAB(K,IV),FLAB(K,IV),K=1,MULT) 0307 8 FORMAT(1H1,4X,12(6X,A6)) 0308 DO 111 IJ=1,NJ 0309 IF(EE(1,IJ,IV)+EF(MULT,IJ,IV).EQ.0.)GO TO 111 0310 XJ=FLOAT(IJ)-FIXJ 0311 C PRINT 109,XJ,(EE(K,IJ,IV),EF(K,IJ,IV),K=1,MULT) 0312 PRINT 1109,XJ,(EE(K,IJ,IV),EF(K,IJ,IV),K=1,MULT), 0313 1(PARE(K,IJ,IV),FACTE(K,IJ,IV), 0314 2PARF(K,IJ,IV),FACTF(K,IJ,IV),K=1,MULT) 0315 1109 FORMAT(F6.1,6F12.3,6(F4.0,F5.2)) 0316 111 CONTINUE 0317 109 FORMAT(F6.1,10F12.3) 0318 112 CONTINUE 0319 C 0320 C READ EP LEVELS 0321 READ(2,3) 0322 READ(2,3) 0323 READ(2,3) 0324 DO 100 ILEVS=1,10000 0325 C EPLUS AND EMINUS ARE THE SAME FOR A SIGMA STATE 0326 READ(2,3)VP,XJP,(EPLUS(KP),EMINUS(KP),KP=1,MULT) 0327 3 FORMAT(5X,I2,F6.1,10F11.3) 0328 IF(VP.LT.0)GO TO 101 0329 IJP=XJP+1. 0330 IF(IJP.GT.190)GO TO 100 0331 IVP=VP+1 0332 DO 120 KP=1,MULT 0333 IF(EPLUS(KP).EQ.0.)GO TO 119 0334 C THE ENERGIES ARE SET NEGATIVE ON THE ASSUMPTION THAT THEY ARE UNRELIABLE 0335 IF(PAREP(KP,IJP,IVP).EQ.+1.)EEP(KP,IJP,IVP)=-EPLUS(KP) 0336 IF(PARFP(KP,IJP,IVP).EQ.+1.)EFP(KP,IJP,IVP)=-EPLUS(KP) 0337 119 IF(EMINUS(KP).EQ.0.)GO TO 120 0338 IF(PAREP(KP,IJP,IVP).EQ.-1.)EEP(KP,IJP,IVP)=-EMINUS(KP) 0339 IF(PARFP(KP,IJP,IVP).EQ.-1.)EFP(KP,IJP,IVP)=-EMINUS(KP) 0340 120 CONTINUE 0341 BOLTP(IJP,IVP)=EXP(-ABS(EEP(MULT,IJP,IVP))/4000.) 0342 100 CONTINUE C23BALINE 18-Nov-2004 21:17:50 VAX FORTRAN V5.4-79 Page 7 18-Nov-2004 21:08:32 KU6E:[KURUCZ.C2]C23DALINE.FOR;25 0343 101 CONTINUE 0344 C 0345 IF(ISO.GT.1)GO TO 1119 0346 C READ IN EXACT ENERGY LEVELS FROM DAVIS AND PHILLIPS 0347 DO 1118 ILEVS=1,10000 0348 READ(14,1114,END=1119)JFV,E 0349 IEF=JFV/1000000 0350 JFV=JFV-IEF*1000000 0351 IVP=JFV/10000 0352 JFV=JFV-IVP*10000 0353 KP=JFV/1000 0354 JFV=JFV-KP*1000 0355 IJP=JFV+1 0356 IVP=IVP+1 0357 IF(IEF.EQ.1.OR.IEF.EQ.0)EEP(KP,IJP,IVP)=ABS(E) 0358 IF(IEF.EQ.2.OR.IEF.EQ.0)EFP(KP,IJP,IVP)=ABS(E) 0359 1118 CONTINUE 0360 1119 CONTINUE 0361 C 0362 C PRINT EP LEVELS 0363 DO 118 IVP=1,NVP 0364 VP=IVP-1 0365 PRINT 8,(ELABP(KP,IVP),FLABP(KP,IVP),KP=1,MULT) 0366 DO 117 IJP=1,NJP 0367 IF(EEP(1,IJP,IVP)+EFP(MULT,IJP,IVP).EQ.0.)GO TO 117 0368 XJP=FLOAT(IJP)-FIXJ 0369 C PRINT 109,XJP,(EEP(KP,IJP,IVP),EFP(KP,IJP,IVP),KP=1,MULT) 0370 PRINT 1109,XJP,(EEP(KP,IJP,IVP),EFP(KP,IJP,IVP),KP=1,MULT), 0371 1(PAREP(KP,IJP,IVP),FACTEP(KP,IJP,IVP), 0372 2PARFP(KP,IJP,IVP),FACTFP(KP,IJP,IVP),KP=1,MULT) 0373 117 CONTINUE 0374 118 CONTINUE 0375 C 0376 REWIND 1 0377 READ(1) 0378 READ(1) 0379 DO 489 IV=1,NV 0380 READ(1)HONL 0381 DO 389 IVP=1,NVP 0382 IF(FQVV(IVP,IV).LT.1.E-10)GO TO 389 0383 DO 289 IJ=1,NJ 0384 XJ=FLOAT(IJ)-FIXJ 0385 ABSEP=ABS(EEP(1,IJP,IVP)) 0386 ABSE=ABS(EE(1,IJ,IV)) 0387 IF(ABSE.GT.EDISSOC.OR.ABSEP.GT.EDISSOCP)GO TO 389 0388 IF(ABSE.GT.ECUT.AND.ABSEP.GT.ECUT)GO TO 389 0389 GFLIMB=GFLIM/MAX(BOLTP(IJP,IVP),BOLT(IJ,IV)) 0390 DO 89 KP=1,MULT 0391 DO 89 K=1,MULT 0392 DO 89 IPQR=1,3 0393 IJP=IJ+IPQR-2 0394 IF(IJP.EQ.0)GO TO 89 0395 XJP=FLOAT(IJP)-FIXJ 0396 C 0397 E=EE(K,IJ,IV) 0398 IF(E.EQ.0..OR.FACTE(K,IJ,IV).EQ.0.)GO TO 83 0399 LABEL(1)=ELAB(K,IV) C23BALINE 18-Nov-2004 21:17:50 VAX FORTRAN V5.4-79 Page 8 18-Nov-2004 21:08:32 KU6E:[KURUCZ.C2]C23DALINE.FOR;25 0400 C 0401 IF(PARE(K,IJ,IV).EQ.PAREP(KP,IJP,IVP))GO TO 81 0402 GF=FQVV(IVP,IV)*HONL(K,KP,IJ,IVP,IPQR)*FACTEP(KP,IJP,IVP) 0403 IF(GF.LT.GFLIMB)GO TO 83 0404 EP=EEP(KP,IJP,IVP) 0405 IF(EP.EQ.0.)GO TO 83 0406 LABELP(1)=ELABP(KP,IVP) 0407 GO TO 82 0408 C 0409 81 IF(PARE(K,IJ,IV).EQ.PARFP(KP,IJP,IVP))GO TO 83 0410 GF=FQVV(IVP,IV)*HONL(K,KP,IJ,IVP,IPQR)*FACTFP(KP,IJP,IVP) 0411 IF(GF.LT.GFLIMB)GO TO 83 0412 EP=EFP(KP,IJP,IVP) 0413 IF(EP.EQ.0.)GO TO 83 0414 LABELP(1)=FLABP(KP,IVP) 0415 C 0416 82 WAVEN=ABS(ABS(EP)-ABS(E)) 0417 WL=1.E7/WAVEN 0418 IF(WL.GT.200.)WL=WL/ 0419 1(1.000064328+2949810./(1.46E10-WAVEN**2)+25540./(4.1E9-WAVEN**2)) 0420 IF(E.LT.0..OR.EP.LT.0.)WL=-WL 0421 GFLOG=ALOG10(GF) 0422 NLINES=NLINES+1 0423 JJP=XJ*2000.+XJP*2. 0424 JJP=JJP*10+ISO 0425 C WRITE(ISOTAPE)WL,E,EP,GFLOG,JJP,LABEL(1),LABELP(1),WAVEN 0426 WRITE(ISOTAPE,3333)WL,GFLOG,XJ,E,XJP,EP,CODE,LABEL,LABELP,WAVEN 0427 3333 FORMAT(F11.4,F7.3,F6.1,F12.3,F6.1,F12.3,F9.2,A8,A2,A8,A2,F11.3) 0428 IF(NLINES.LT.1000.OR.MOD(NLINES,1000).EQ.0) 0429 1PRINT 333,NLINES,WL,GFLOG,XJ,E,XJP,EP,CODE,LABEL,LABELP,WAVEN 0430 333 FORMAT(I10,F13.4,F7.3,F6.1,F12.3,F6.1,F12.3,F9.2,1XA8,A2,1X,A8, 0431 1A2,F11.3) 0432 C 0433 83 E=EF(K,IJ,IV) 0434 IF(E.EQ.0..OR.FACTF(K,IJ,IV).EQ.0.)GO TO 89 0435 LABEL(1)=FLAB(K,IV) 0436 C 0437 IF(PARF(K,IJ,IV).EQ.PAREP(KP,IJP,IVP))GO TO 84 0438 GF=FQVV(IVP,IV)*HONL(K,KP,IJ,IVP,IPQR)*FACTEP(KP,IJP,IVP) 0439 IF(GF.LT.GFLIMB)GO TO 89 0440 EP=EEP(KP,IJP,IVP) 0441 IF(EP.EQ.0.)GO TO 89 0442 LABELP(1)=ELABP(KP,IVP) 0443 GO TO 85 0444 C 0445 84 IF(PARF(K,IJ,IV).EQ.PARFP(KP,IJP,IVP))GO TO 89 0446 GF=FQVV(IVP,IV)*HONL(K,KP,IJ,IVP,IPQR)*FACTFP(KP,IJP,IVP) 0447 IF(GF.LT.GFLIMB)GO TO 89 0448 EP=EFP(KP,IJP,IVP) 0449 IF(EP.EQ.0.)GO TO 89 0450 LABELP(1)=FLABP(KP,IVP) 0451 C 0452 85 WAVEN=ABS(ABS(EP)-ABS(E)) 0453 WL=1.E7/WAVEN 0454 IF(WL.GT.200.)WL=WL/ 0455 1(1.000064328+2949810./(1.46E10-WAVEN**2)+25540./(4.1E9-WAVEN**2)) 0456 IF(E.LT.0..OR.EP.LT.0.)WL=-WL C23BALINE 18-Nov-2004 21:17:50 VAX FORTRAN V5.4-79 Page 9 18-Nov-2004 21:08:32 KU6E:[KURUCZ.C2]C23DALINE.FOR;25 0457 GFLOG=ALOG10(GF) 0458 NLINES=NLINES+1 0459 JJP=XJ*2000.+XJP*2. 0460 JJP=JJP*10+ISO 0461 WRITE(ISOTAPE,3333)WL,GFLOG,XJ,E,XJP,EP,CODE,LABEL,LABELP,WAVEN 0462 C WRITE(ISOTAPE)WL,E,EP,GFLOG,JJP,LABEL(1),LABELP(1),WAVEN 0463 IF(NLINES.LT.1000.OR.MOD(NLINES,1000).EQ.0) 0464 1PRINT 333,NLINES,WL,GFLOG,XJ,E,XJP,EP,CODE,LABEL,LABELP,WAVEN 0465 C 0466 89 CONTINUE 0467 289 CONTINUE 0468 389 CONTINUE 0469 489 CONTINUE 0470 95 CONTINUE 0471 PRINT 333,NLINES,WL,GFLOG,XJ,E,XJP,EP,CODE,LABEL,LABELP,WAVEN 0472 500 CONTINUE 0473 PRINT 333,NLINES,WL,GFLOG,XJ,E,XJP,EP,CODE,LABEL,LABELP,WAVEN 0474 CALL EXIT 0475 END PROGRAM SECTIONS Name Bytes Attributes 0 $CODE 4869 PIC CON REL LCL SHR EXE RD NOWRT LONG 1 $PDATA 172 PIC CON REL LCL SHR NOEXE RD NOWRT LONG 2 $LOCAL 2115764 PIC CON REL LCL NOSHR NOEXE RD WRT QUAD Total Space Allocated 2120805 ENTRY POINTS Address Type Name 0-00000000 C23BALINE VARIABLES Address Type Name Address Type Name Address Type Name Address Type Name ** R*4 ABSE ** R*4 ABSEP ** R*4 ASYMFACT ** R*4 CODE 2-00204798 R*8 E ** R*4 ECUT ** R*4 EDISSOC ** R*4 EDISSOCP 2-002047A0 R*8 EP 2-002047C8 R*4 FCF ** R*4 FIXJ ** R*4 GF 2-002047D8 R*4 GFLIM 2-002047F8 R*4 GFLIMB 2-002047FC R*4 GFLOG ** R*4 GSIGPI 2-002047C0 I*4 I ** I*4 IEF ** I*4 IFSIG ** I*4 IFSIGP 2-002047DC I*4 IJ 2-002047E4 I*4 IJP ** I*4 ILEVS ** R*4 INUCLEAR ** I*4 IPQR 2-002047D4 I*4 ISO ** I*4 ISOTAPE 2-002047D0 I*4 IV ** I*4 IVP 2-002047EC I*4 JFV ** I*4 JJP 2-002047E0 I*4 K ** I*4 KP ** I*4 LAB ** I*4 LABP ** I*4 MULT ** I*4 NJ ** I*4 NJP ** I*4 NLINE 2-00204800 I*4 NLINES ** I*4 NV ** I*4 NVP ** R*4 PAR ** R*4 PARP 2-002047CC R*4 R ** R*4 S ** R*4 SSYMFACT ** R*4 UG C23BALINE 18-Nov-2004 21:17:50 VAX FORTRAN V5.4-79 Page 10 01 18-Nov-2004 21:08:32 KU6E:[KURUCZ.C2]C23DALINE.FOR;25 ** R*4 UGP 2-002047B8 I*4 V 2-002047BC I*4 VP 2-002047B0 R*8 WAVEN 2-002047C4 R*4 WAVNO 2-002047A8 R*8 WL 2-002047E8 R*4 XJ 2-002047F0 R*4 XJP ARRAYS Address Type Name Bytes Dimensions 2-001F5428 R*4 BOLT 31160 (190, 41) 2-001FCDE0 R*4 BOLTP 31160 (190, 41) 2-0005B4A0 R*8 EE 186960 (3, 190, 41) 2-00000000 R*8 EEP 186960 (3, 190, 41) 2-00088EF0 R*8 EF 186960 (3, 190, 41) 2-0002DA50 R*8 EFP 186960 (3, 190, 41) 2-000B6940 R*8 ELAB 984 (3, 41) 2-000B70F0 R*8 ELABP 984 (3, 41) 2-000B78D8 R*8 EMINUS 56 (7) 2-000B78A0 R*8 EPLUS 56 (7) 2-000B6940 R*4 ESIGMA 28 (7) 2-00140820 R*4 FACTE 93480 (3, 190, 41) 2-00112DD0 R*4 FACTEP 93480 (3, 190, 41) 2-00157548 R*4 FACTF 93480 (3, 190, 41) 2-00129AF8 R*4 FACTFP 93480 (3, 190, 41) 2-001ED0D4 R*4 FELVV 6724 (41, 41) 2-000B6D18 R*8 FLAB 984 (3, 41) 2-000B74C8 R*8 FLABP 984 (3, 41) 2-001EEB18 R*4 FQVV 6724 (41, 41) 2-000B695C R*4 FSIGMA 28 (7) 2-0016E2A8 R*4 HONL 513000 (3, 3, 190, 25, 3) 2-000B7910 R*8 LABEL 16 (2) 2-000B7920 R*8 LABELP 16 (2) 2-000E5380 R*4 PARE 93480 (3, 190, 41) 2-000B7930 R*4 PAREP 93480 (3, 190, 41) 2-000FC0A8 R*4 PARF 93480 (3, 190, 41) 2-000CE658 R*4 PARFP 93480 (3, 190, 41) 2-001EB690 R*4 QVV 6724 (41, 41) 2-001F1FA0 R*4 RCENT 6724 (41, 41) 2-001F39E4 R*4 RESQ 6724 (41, 41) 2-001F055C R*4 WAVNOVV 6724 (41, 41) LABELS Address Label Address Label Address Label Address Label Address Label Address Label 1-00000000 1' 1-00000010 2' 1-00000057 3' 1-00000034 8' ** 9 0-00000199 10 0-000004D1 15 0-0000049B 16 0-00000C84 81 0-00000CFA 82 0-00000EC4 83 0-00000F74 84 0-00000FEA 85 0-000011B7 89 ** 95 0-0000088A 100 0-00000894 101 0-0000050E 103 ** 109' 0-00000717 111 ** 112 0-00000504 115 0-00000A7B 117 ** 118 0-00000823 119 0-00000859 120 ** 122 ** 123 ** 125 ** 127 ** 128 ** 129 ** 130 ** 131 ** 289 1-00000085 333' 0-000011D2 389 ** 489 ** 500 1-00000043 1109' 1-0000002E 1114' ** 1115 0-0000060C 1116 ** 1118 0-00000971 1119 1-00000064 3333' C23BALINE 18-Nov-2004 21:17:50 VAX FORTRAN V5.4-79 Page 11 01 18-Nov-2004 21:08:32 KU6E:[KURUCZ.C2]C23DALINE.FOR;25 FUNCTIONS AND SUBROUTINES REFERENCED Type Name Type Name Type Name Type Name FOR$EXIT FOR$OPEN R*4 MTH$ALOG10 R*8 MTH$DEXP COMMAND QUALIFIERS FORTRAN/LIS C23DALINE /CHECK=(NOBOUNDS,OVERFLOW,NOUNDERFLOW) /DEBUG=(NOSYMBOLS,TRACEBACK) /DESIGN=(NOCOMMENTS,NOPLACEHOLDERS) /SHOW=(NODICTIONARY,NOINCLUDE,MAP,NOPREPROCESSOR,SINGLE) /STANDARD=(NOSEMANTIC,NOSOURCE_FORM,NOSYNTAX) /WARNINGS=(NODECLARATIONS,GENERAL,NOULTRIX,NOVAXELN) /CONTINUATIONS=19 /NOCROSS_REFERENCE /NOD_LINES /NOEXTEND_SOURCE /F77 /NOG_FLOATING /I4 /NOMACHINE_CODE /OPTIMIZE /NOPARALLEL /NOANALYSIS_DATA /NODIAGNOSTICS /LIST=KU6E:[KURUCZ.C2]C23DALINE.LIS;4 /OBJECT=KU6E:[KURUCZ.C2]C23DALINE.OBJ;5 COMPILATION STATISTICS Run Time: 0.91 seconds Elapsed Time: 1.44 seconds Page Faults: 976 Dynamic Memory: 1272 pages $LINK C23DALINE $ASSIGN POOLQ:HOC23DA.DAT FOR001 $ASSIGN C23DISO.DAT FOR002 $ASSIGN C23AISO.DAT FOR004 $ASSIGN FITBALLA.DAT FOR015 $ASSIGN BERKAV.DAT FOR014 $ASSIGN FCFC23DA.DAT FOR005 $ASSIGN C23DA.DAT FOR033 $RUN C23DALINE 0 0 18486.43 7.2417E-01 1.2937 1.2937 0.5867 3.2944E-02 2.3857E-02 1 0 20241.77 2.4536E-01 1.3683 1.3683 0.5867 3.6072E-02 8.8506E-03 2 0 21964.23 2.9047E-02 1.4592 1.4592 0.5867 3.9142E-02 1.1369E-03 3 0 23653.81 1.4062E-03 1.5791 1.5791 0.5867 4.2152E-02 5.9275E-05 4 0 25310.51 1.9630E-05 1.8151 1.8151 0.5867 4.5105E-02 8.8541E-07 5 0 26934.33 2.1467E-09 -3.0301 -3.0301 0.5867 4.7999E-02 1.0304E-10 6 0 28525.27 5.7246E-09 1.6353 1.6353 0.5867 5.0834E-02 2.9100E-10 7 0 30083.33 4.1410E-13 9.3825 9.3825 0.5867 5.3610E-02 2.2200E-14 8 0 31608.51 4.4615E-12 1.5814 1.5814 0.5867 5.6328E-02 2.5131E-13 9 0 33100.81 3.9261E-14 0.4455 0.4455 0.5867 5.8988E-02 2.3159E-15 10 0 34560.23 1.5054E-15 2.5589 2.5589 0.5867 6.1588E-02 9.2715E-17 11 0 35986.77 3.9269E-16 1.3865 1.3865 0.5867 6.4131E-02 2.5183E-17 12 0 37380.43 9.8470E-17 1.0235 1.0235 0.5867 6.6614E-02 6.5595E-18 13 0 38741.21 3.4260E-17 0.9865 0.9865 0.5867 6.9039E-02 2.3653E-18 14 0 40069.11 5.7815E-18 0.8159 0.8159 0.5867 7.1406E-02 4.1283E-19 15 0 41364.13 2.8437E-19 -0.0433 -0.0433 0.5867 7.3713E-02 2.0962E-20 16 0 42626.27 1.7138E-19 0.3790 0.3790 0.5867 7.5963E-02 1.3018E-20 17 0 43855.53 8.1171E-19 1.1252 1.1252 0.5867 7.8153E-02 6.3438E-20 18 0 45051.91 8.1358E-19 1.2596 1.2596 0.5867 8.0285E-02 6.5318E-20 19 0 46215.41 5.2381E-20 1.3511 1.3511 0.5867 8.2359E-02 4.3140E-21 20 0 47346.03 3.2312E-19 1.2627 1.2627 0.5867 8.4373E-02 2.7263E-20 21 0 48443.77 7.7765E-19 1.2807 1.2807 0.5867 8.6330E-02 6.7134E-20 22 0 49508.63 3.0706E-19 1.2800 1.2800 0.5867 8.8227E-02 2.7091E-20 23 0 50540.61 9.0350E-21 1.3650 1.3650 0.5867 9.0066E-02 8.1375E-22 24 0 51539.71 3.4912E-19 1.3041 1.3041 0.5867 9.1847E-02 3.2066E-20 0 1 16868.41 2.1996E-01 1.2248 1.2248 0.5867 3.0060E-02 6.6121E-03 1 1 18623.75 3.3110E-01 1.3061 1.3061 0.5867 3.3189E-02 1.0989E-02 2 1 20346.21 3.6877E-01 1.3769 1.3769 0.5867 3.6258E-02 1.3371E-02 3 1 22035.79 7.5017E-02 1.4678 1.4678 0.5867 3.9269E-02 2.9458E-03 4 1 23692.49 5.0583E-03 1.5897 1.5897 0.5867 4.2221E-02 2.1357E-04 5 1 25316.31 8.4394E-05 1.8401 1.8401 0.5867 4.5115E-02 3.8074E-06 6 1 26907.25 5.7676E-08 -0.5090 -0.5090 0.5867 4.7950E-02 2.7656E-09 7 1 28465.31 4.1433E-08 1.6842 1.6842 0.5867 5.0727E-02 2.1018E-09 8 1 29990.49 6.4630E-12 -4.1630 -4.1630 0.5867 5.3445E-02 3.4541E-13 9 1 31482.79 4.2083E-11 1.6567 1.6567 0.5867 5.6104E-02 2.3610E-12 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