Bump version and keep and old copy of original spaghetti of loops.

fortran/trimspNL.F

@@ -115,7 +115,7 @@ C     NJ(I) is the number of elements in layer I
       INTEGER*4 ICSUM,ICSUMS,ICDI,ISPA,ISPAT 
       INTEGER*4 KK0,KK0R,KK2,KKR,KDEE1,KDEE2
       INTEGER*4 NE,NA,NG,NA1,NG1
-      INTEGER*4 JMAX,LJ,INEL,IH,IH1,IY,IY2,IY3
+      INTEGER*4 LJ,INEL,IH,IH1,IY,IY2,IY3
       INTEGER*4 JL,KK1,IVMIN,IVMAX,NPA,IREC1,IREC,MAXA,NALL,NSA,KIS
       INTEGER*4 IA,IAG,IAGS,IG,IESP,IESLOG
       INTEGER*4 IPOT,IPOTR,IRL,ICDIR,ICSBR,ICSUMR,KOI,IGG,KIST
@@ -397,13 +397,9 @@ C     if there is no input argument take defailt file names
 
       write (*,*) innam
 
-C     LMAX is maximum number of layers and JMAX is maximum number of
-C     elements per layer.
-      JMAX=5
-
 C     This part reads the input file (new format) 
       OPEN(UNIT=99,file=errnam,STATUS='replace')
-      OPEN(UNIT=11,file=innam,STATUS='unknown',ERR=1359)
+      OPEN(UNIT=11,file=innam,STATUS='unknown',ERR=8000)
 C     First line: properties of projectile
 C     Ordered as: Z, mass number (amu), imp. energy, dist. of imp. energy, angle, dist. angles,   
       READ(11,*) Z1,M1,E0,Esig,ALPHA,ALPHASIG,EF,ESB,SHEATH,ERC
@@ -445,12 +441,12 @@ C     value A-5 of the ziegler tables
          read(11,*) (CH5(I,j), j = 1, NJ(I))
       ENDDO
  
- 1359 CLOSE(UNIT=11) 
+      CLOSE(UNIT=11) 
 
  
 C     open statement for output files, removed from line 2449 ff to here
       OPEN(UNIT=21,FILE=outnam)
- 6001 OPEN(UNIT=22,FILE=rgenam,STATUS='replace')
+      OPEN(UNIT=22,FILE=rgenam,STATUS='replace')
       WRITE(21,1000)
  1000 FORMAT(1H1/,6X,'* TrimSPNL v1.1.0 *')
 
@@ -530,9 +526,12 @@ C     Loop over all defined layers
             Z2(I)=Z2(I)+CO(I,J)*ZT(I,J)
             M2(I)=M2(I)+CO(I,J)*MT(I,J)
          ENDDO
+C     this is the atomic density
          ARHO(I)  = RHO(I)*AN/M2(I)
+C     this is the mean free path
          LM(I)    = ARHO(I)**(-1.D0/3.D0)
          ASIG(I)  = LM(I)*ARHO(I)
+C     this is the maximum impact parameter
          PDMAX(I)  = LM(I)/DSQRT(PI)
          K2(I)    = .133743D0*Z2(I)**(2.D0/3.D0)/DSQRT(M2(I))
          AM(I)    = CA*ABC*(Z2(I)**(-1.D0/3.D0))
@@ -635,12 +634,11 @@ C     ZBL POTENTIAL (IPOTR=3)
       ALPHA = CVMGT( .001D0,    ALPHA, EQUAL(ALPHA,0.D0))
       ALPHA = CVMGT( 179.999D0, ALPHA, EQUAL(ALPHA,180.D0))
 
-      IF(ALPHA.GE.90.0.AND.X0.LE.0.0) GO TO 8881
+      IF(ALPHA.GE.90.0.AND.X0.LE.0.0) then
-      GO TO 8882
+         WRITE(*,*) 'ERROR : If ALPHA>=90 then X0 must be <=0.'
- 8881 WRITE(6,8883)
+C     Exit program
- 8883 FORMAT(1X,'ERROR : IF ALPHA.GE.90. THEN IT MUST BE X0.LE.0.')
          GOTO 8000
- 8882 CONTINUE
+      endif
 
 C     SET CONSTANT DISTANCES
       
@@ -660,17 +658,15 @@ C     SET CONSTANT DISTANCES
       RT   = TT-RD
 
 
-      IF(E0.GE.0.D0) GO TO 51
+      IF(E0.LT.0.D0) then 
-C     
 C     SET CONSTANTS FOR MAXWELLIAN DISTRIBUTION
-C
          TI   = -1.D0*E0
          ZARG = DSQRT(TI/(M1*2.D0))
          VELC = SHEATH/M1
-C     
+      endif
+
 C     NUMBERS FOR VECTORIZED LOOPS
-C
+      NUM  = MIN( 64, NH)
- 51   NUM  = MIN( 64, NH)
       IH   = NUM
       IH1  = NUM
 C

package.json

@@ -1,6 +1,6 @@
 {
   "name": "TrimSP",
-  "version": "1.0.1",
+  "version": "1.1.0",
   "description": "Trim.SP simulation to calculate stopping profile of implanted probes.",
   "main": "main.js",
   "scripts": {
@@ -13,7 +13,7 @@
     "SRIM"
   ],
   "author": "Zaher Salman",
-  "license": "GPL2",
+  "license": "GPL3",
   "devDependencies": {
     "@electron-forge/cli": "^6.0.0-beta.57",
     "@electron-forge/maker-deb": "^6.0.0-beta.57",