Extract the transmission sputtering yields and energies block
This commit is contained in:
+166
-116
@@ -2627,122 +2627,11 @@ C
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C TRANSMISSION SPUTTERING : YIELDS AND ENERGIES
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C
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1700 IF(ISPAT.EQ.0) GO TO 1800
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WRITE(21,1704)
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1704 FORMAT(1H1,5X,'TRANSMISSION SPUTTERING')
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DO J=1,NJ(1)
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ISPALT(1) = ISPALT(1)+ITSP(J)
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ESPALT(1) = ESPALT(1)+ETSP(J)
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ENDDO
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DO J=NJ(1)+1,JT(3)
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ISPALT(2) = ISPALT(2)+ITSP(J)
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ESPALT(2) = ESPALT(2)+ETSP(J)
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ENDDO
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DO J=JT(3)+1,LJ
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ISPALT(3) = ISPALT(3)+ITSP(J)
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ESPALT(3) = ESPALT(3)+ETSP(J)
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ENDDO
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WRITE(21,1712) ISPAT,ESPAT
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1712 FORMAT(///,8X,'ALL SPUTTERED PARTICLES = ',I7,3X
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& ,'TOTAL SPUTTERED ENERGY = ',E10.4,3H EV//)
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DO J=1,L
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WRITE(21,1713) J,ISPALT(J),ESPALT(J)
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1713 FORMAT(8X,'SPUTTERED PARTICLES (LAYER ',I3,') = ',I7,3X
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& ,'SPUTTERED ENERGY = ',E10.4,3H EV)
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ENDDO
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DO J=1,LJ
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RIPT(J)=DBLE(ISPIPT(J))/DBLE(ISPAT)
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RIST(J)=DBLE(ISPIST(J))/DBLE(ISPAT)
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ROPT(J)=DBLE(ISPOPT(J))/DBLE(ISPAT)
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ROST(J)=DBLE(ISPOST(J))/DBLE(ISPAT)
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REIPT(J)=ESPIPT(J)/ESPAT
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REIST(J)=ESPIST(J)/ESPAT
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REOPT(J)=ESPOPT(J)/ESPAT
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REOST(J)=ESPOST(J)/ESPAT
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ENDDO
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1715 CONTINUE
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DO 1717 J=1,LJ
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IF(ISPIPT(J).EQ.0) GO TO 4571
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ESPMIPT(J)=ESPIPT(J)/DBLE(ISPIPT(J))
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4571 IF(ISPIST(J).EQ.0) GO TO 4572
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ESPMIST(J)=ESPIST(J)/DBLE(ISPIST(J))
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4572 IF(ISPOPT(J).EQ.0) GO TO 4573
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ESPMOPT(J)=ESPOPT(J)/DBLE(ISPOPT(J))
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4573 IF(ISPOST(J).EQ.0) GO TO 1717
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ESPMOST(J)=ESPOST(J)/DBLE(ISPOST(J))
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1717 CONTINUE
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DO J=1,LJ
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SPYT(J)=DBLE(ITSP(J))/DBLE(NH)
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SPET(J)=ETSP(J)/(NH*E0)
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ENDDO
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DO 1737 J=1,LJ
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IF (equal(SPYT(J),0.0D0))GO TO 1737
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REYT(J)=SPET(J)/SPYT(J)
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EMSPT(J)=REYT(J)*E0
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1737 CONTINUE
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IF(ISPALT(1).EQ.0) GO TO 1719
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WRITE(21,1714)
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1714 FORMAT(//1X,'1.LAYER')
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DO J=1,NJ(1)
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WRITE(21,1564) J,ITSP(J),J,ETSP(J)
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ENDDO
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DO 1734 J=1,NJ(1)
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WRITE(21,1581) J,ISPIPT(J),RIPT(J),ESPIPT(J),REIPT(J)
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& ,ESPMIPT(J),J,ISPIST(J),RIST(J),ESPIST(J),REIST(J)
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& ,ESPMIST(J),J,ISPOPT(J),ROPT(J),ESPOPT(J),REOPT(J)
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& ,ESPMOPT(J),J,ISPOST(J),ROST(J),ESPOST(J),REOST(J)
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& ,ESPMOST(J)
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1734 CONTINUE
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1581 FORMAT(/9X,'ION IN , PRIMARY KO(',I1,') = ',I7,1F9.4,4X
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& ,'ENERGY = ',E10.4,' EV',1F9.4,4X,'MEAN ENERGY = ',E10.4/
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& 9X,'ION IN , SECOND. KO(',I1,') = ',I7,1F9.4,4X
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& ,'ENERGY = ',E10.4,' EV',1F9.4,4X,'MEAN ENERGY = ',E10.4/
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& 8X,'ION OUT , PRIMARY KO(',I1,') = ',I7,1F9.4,4X
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& ,'ENERGY = ',E10.4,' EV',1F9.4,4X,'MEAN ENERGY = ',E10.4/
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& 8X,'ION OUT , SECOND. KO(',I1,') = ',I7,1F9.4,4X
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& ,'ENERGY = ',E10.4,' EV',1F9.4,4X,'MEAN ENERGY = ',E10.4)
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WRITE(21,1577)
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DO J=1,NJ(1)
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WRITE(21,1582) J,SPYT(J),J,SPET(J),J,REYT(J),J,EMSPT(J)
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ENDDO
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1719 IF(L.EQ.1) GO TO 1749
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IF(ISPALT(2).EQ.0) GO TO 1744
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WRITE(21,1720)
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1720 FORMAT(/1X,'2.LAYER')
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DO J=NJ(1)+1,JT(3)
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WRITE(21,1564) J-NJ(1),ITSP(J),J-NJ(1),ETSP(J)
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ENDDO
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DO J=NJ(1)+1,JT(3)
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WRITE(21,1581) J-NJ(1),ISPIPT(J),RIPT(J),ESPIPT(J),REIPT(J)
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& ,ESPMIPT(J) ,J-NJ(1),ISPIST(J),RIST(J),ESPIST(J),REIST(J)
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& ,ESPMIST(J) ,J-NJ(1),ISPOPT(J),ROPT(J),ESPOPT(J),REOPT(J)
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& ,ESPMOPT(J) ,J-NJ(1),ISPOST(J),ROST(J),ESPOST(J),REOST(J)
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& ,ESPMOST(J)
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ENDDO
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WRITE(21,1577)
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DO J=NJ(1)+1,JT(3)
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WRITE(21,1582) J-NJ(1),SPYT(J),J-NJ(1),SPET(J),J-NJ(1),REYT(J)
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& ,J-NJ(1),EMSPT(J)
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ENDDO
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1744 IF(L.EQ.2) GO TO 1749
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IF(ISPALT(3).EQ.0) GO TO 1749
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WRITE(21,1726)
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1726 FORMAT(/1X,'3.LAYER')
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DO J=JT(3)+1,LJ
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WRITE(21,1564) J-JT(3),ITSP(J),J-JT(3),ETSP(J)
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ENDDO
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DO J=JT(3)+1,LJ
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WRITE(21,1581) J-JT(3),ISPIPT(J),RIPT(J),ESPIPT(J),REIPT(J)
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& ,ESPMIPT(J) ,J-JT(3),ISPIST(J),RIST(J),ESPIST(J),REIST(J)
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& ,ESPMIST(J) ,J-JT(3),ISPOPT(J),ROPT(J),ESPOPT(J),REOPT(J)
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& ,ESPMOPT(J) ,J-JT(3),ISPOST(J),ROST(J),ESPOST(J),REOST(J)
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& ,ESPMOST(J)
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ENDDO
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WRITE(21,1577)
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DO J=JT(3)+1,LJ
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WRITE(21,1582) J-JT(3),SPYT(J),J-JT(3),SPET(J),J-JT(3),REYT(J)
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& ,J-JT(3),EMSPT(J)
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ENDDO
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1749 CONTINUE
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call writeTransmissionSputterYieldSummary(ISPAT,L,NJ,JT,LJ,NH,
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& E0,ESPAT,ITSP,ETSP,ISPALT,ESPALT,ISPIPT,ISPIST,ISPOPT,
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& ISPOST,ESPIPT,ESPIST,ESPOPT,ESPOST,RIPT,RIST,ROPT,ROST,
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& REIPT,REIST,REOPT,REOST,ESPMIPT,ESPMIST,ESPMOPT,
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& ESPMOST,SPYT,SPET,REYT,EMSPT,MAXNL,MAXNL5)
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C
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C TRANSMISSION SPUTTERING : ANGULAR DISTRIBUTIONS
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C
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@@ -3328,6 +3217,167 @@ C=======================================================================
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C OUTPUT WRITER SUBROUTINES
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C=======================================================================
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C
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C Write transmission sputtering yields and energy summaries.
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C
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subroutine writeTransmissionSputterYieldSummary(ispat,nLayers,
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& nj,jt,nSpecies,nProjectiles,initialEnergy,totalEnergy,
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& itsp,etsp,ispalt,espalt,ispipt,ispist,ispopt,ispost,
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& espipt,espist,espopt,espost,ript,rist,ropt,rost,reipt,
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& reist,reopt,reost,espmipt,espmist,espmopt,espmost,spyt,
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& spet,reyt,emspt,maxNl,maxNl5)
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implicit none
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integer maxNl,maxNl5
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integer ispat,nLayers,nSpecies,nProjectiles
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integer j
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integer*4 nj(maxNl),jt(maxNl)
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integer*4 itsp(maxNl5),ispalt(maxNl)
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integer*4 ispipt(maxNl5),ispist(maxNl5)
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integer*4 ispopt(maxNl5),ispost(maxNl5)
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real*8 initialEnergy,totalEnergy
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real*8 etsp(maxNl5),espalt(maxNl)
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real*8 ript(maxNl5),rist(maxNl5),ropt(maxNl5),rost(maxNl5)
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real*8 reipt(maxNl5),reist(maxNl5),reopt(maxNl5)
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real*8 reost(maxNl5)
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real*8 espipt(maxNl5),espist(maxNl5),espopt(maxNl5)
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real*8 espost(maxNl5)
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real*8 espmipt(maxNl5),espmist(maxNl5),espmopt(maxNl5)
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real*8 espmost(maxNl5)
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real*8 spyt(maxNl5),spet(maxNl5),reyt(maxNl5),emspt(maxNl5)
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logical equal
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external equal
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if(ispat.eq.0) return
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write(21,1704)
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1704 format(1H1,5X,'TRANSMISSION SPUTTERING')
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do j=1,nj(1)
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ispalt(1) = ispalt(1)+itsp(j)
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espalt(1) = espalt(1)+etsp(j)
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enddo
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do j=nj(1)+1,jt(3)
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ispalt(2) = ispalt(2)+itsp(j)
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espalt(2) = espalt(2)+etsp(j)
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enddo
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do j=jt(3)+1,nSpecies
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ispalt(3) = ispalt(3)+itsp(j)
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espalt(3) = espalt(3)+etsp(j)
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enddo
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write(21,1712) ispat,totalEnergy
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1712 format(///,8X,'ALL SPUTTERED PARTICLES = ',I7,3X,
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& 'TOTAL SPUTTERED ENERGY = ',E10.4,3H EV//)
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do j=1,nLayers
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write(21,1713) j,ispalt(j),espalt(j)
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1713 format(8X,'SPUTTERED PARTICLES (LAYER ',I3,') = ',I7,
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& 3X,'SPUTTERED ENERGY = ',E10.4,3H EV)
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enddo
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do j=1,nSpecies
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ript(j)=dble(ispipt(j))/dble(ispat)
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rist(j)=dble(ispist(j))/dble(ispat)
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ropt(j)=dble(ispopt(j))/dble(ispat)
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rost(j)=dble(ispost(j))/dble(ispat)
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reipt(j)=espipt(j)/totalEnergy
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reist(j)=espist(j)/totalEnergy
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reopt(j)=espopt(j)/totalEnergy
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reost(j)=espost(j)/totalEnergy
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enddo
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1715 continue
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do 1717 j=1,nSpecies
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if(ispipt(j).eq.0) go to 4571
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espmipt(j)=espipt(j)/dble(ispipt(j))
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4571 if(ispist(j).eq.0) go to 4572
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espmist(j)=espist(j)/dble(ispist(j))
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4572 if(ispopt(j).eq.0) go to 4573
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espmopt(j)=espopt(j)/dble(ispopt(j))
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4573 if(ispost(j).eq.0) go to 1717
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espmost(j)=espost(j)/dble(ispost(j))
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1717 continue
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do j=1,nSpecies
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spyt(j)=dble(itsp(j))/dble(nProjectiles)
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spet(j)=etsp(j)/(nProjectiles*initialEnergy)
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enddo
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do 1737 j=1,nSpecies
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if (equal(spyt(j),0.0D0))go to 1737
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reyt(j)=spet(j)/spyt(j)
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emspt(j)=reyt(j)*initialEnergy
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1737 continue
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if(ispalt(1).eq.0) go to 1719
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write(21,1714)
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1714 format(//1X,'1.LAYER')
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do j=1,nj(1)
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write(21,1564) j,itsp(j),j,etsp(j)
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enddo
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do 1734 j=1,nj(1)
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write(21,1581) j,ispipt(j),ript(j),espipt(j),reipt(j),
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& espmipt(j),j,ispist(j),rist(j),espist(j),reist(j),
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& espmist(j),j,ispopt(j),ropt(j),espopt(j),reopt(j),
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& espmopt(j),j,ispost(j),rost(j),espost(j),reost(j),
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& espmost(j)
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1734 continue
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1581 format(/9X,'ION IN , PRIMARY KO(',I1,') = ',I7,1F9.4,
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& 4X,'ENERGY = ',E10.4,' EV',1F9.4,4X,
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& 'MEAN ENERGY = ',E10.4/
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& 9X,'ION IN , SECOND. KO(',I1,') = ',I7,1F9.4,
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& 4X,'ENERGY = ',E10.4,' EV',1F9.4,4X,
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& 'MEAN ENERGY = ',E10.4/
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& 8X,'ION OUT , PRIMARY KO(',I1,') = ',I7,1F9.4,
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& 4X,'ENERGY = ',E10.4,' EV',1F9.4,4X,
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& 'MEAN ENERGY = ',E10.4/
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& 8X,'ION OUT , SECOND. KO(',I1,') = ',I7,1F9.4,
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& 4X,'ENERGY = ',E10.4,' EV',1F9.4,4X,
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& 'MEAN ENERGY = ',E10.4)
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write(21,1577)
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do j=1,nj(1)
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write(21,1582) j,spyt(j),j,spet(j),j,reyt(j),j,emspt(j)
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enddo
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1719 if(nLayers.eq.1) go to 1749
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if(ispalt(2).eq.0) go to 1744
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write(21,1720)
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1720 format(/1X,'2.LAYER')
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do j=nj(1)+1,jt(3)
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write(21,1564) j-nj(1),itsp(j),j-nj(1),etsp(j)
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enddo
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do j=nj(1)+1,jt(3)
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write(21,1581) j-nj(1),ispipt(j),ript(j),espipt(j),
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& reipt(j),espmipt(j),j-nj(1),ispist(j),rist(j),
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& espist(j),reist(j),espmist(j),j-nj(1),ispopt(j),
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& ropt(j),espopt(j),reopt(j),espmopt(j),j-nj(1),
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& ispost(j),rost(j),espost(j),reost(j),espmost(j)
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enddo
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write(21,1577)
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do j=nj(1)+1,jt(3)
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write(21,1582) j-nj(1),spyt(j),j-nj(1),spet(j),
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& j-nj(1),reyt(j),j-nj(1),emspt(j)
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enddo
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1744 if(nLayers.eq.2) go to 1749
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if(ispalt(3).eq.0) go to 1749
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write(21,1726)
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1726 format(/1X,'3.LAYER')
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do j=jt(3)+1,nSpecies
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write(21,1564) j-jt(3),itsp(j),j-jt(3),etsp(j)
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enddo
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do j=jt(3)+1,nSpecies
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write(21,1581) j-jt(3),ispipt(j),ript(j),espipt(j),
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& reipt(j),espmipt(j),j-jt(3),ispist(j),rist(j),
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& espist(j),reist(j),espmist(j),j-jt(3),ispopt(j),
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& ropt(j),espopt(j),reopt(j),espmopt(j),j-jt(3),
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& ispost(j),rost(j),espost(j),reost(j),espmost(j)
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enddo
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write(21,1577)
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do j=jt(3)+1,nSpecies
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write(21,1582) j-jt(3),spyt(j),j-jt(3),spet(j),
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& j-jt(3),reyt(j),j-jt(3),emspt(j)
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enddo
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1749 continue
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return
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1564 format(9X,'SPUTTERED PARTICLES(',I1,') = ',I7,5X,
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& 'SPUTTERED ENERGY(',I1,') = ',E10.4,' EV')
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1577 format(/)
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1582 format(5X,'SPUTTERING YIELD(',I1,') = ',1PE10.3,
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& ' SPUTTERED ENERGY(',I1,') = ',1E10.3,
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& ' REL.MEAN ENERGY(',I1,') = ',1E10.3,
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& ' MEAN ENERGY(',I1,') = ',1E10.3)
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end
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C=======================================================================
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C=======================================================================
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