Editing Source code for the minimum distance between two rods

The following is the FORTRAN source code for the calculation of the minimum distance between two rods in three dimensions. For full details see Ref. 1.

 C  SUBROUTINE TO EVALUATE THE SHORTEST DISTANCE BETWEEN TWO RODS
 C  OF DIFFERENT LENGTH
 C  R12= VECTOR CONNECTING THE GEOMETRICAL CENTERS OF THE TWO RODS
 C  U1 = UNITARY VECTOR DEFINIG THE ORIENTATION OF ROD1
 C  U2 = UNITARY VECTOR DEFINIG THE ORIENTATION OF ROD2
 C  XL1D2= HALF OF THE LENGTH OF ROD1
 C  XL2D2= HALF OF THE LENGTH OF ROD2
 C  RO2 = SQUARE OF THE SHORTEST DISTANCE BETWEEN THE TWO RODS
       SUBROUTINE SDM(R12,U1,U2,XL1D2,XL2D2,RO2)
       DIMENSION R12(3),U1(3),U2(3)
 C *****************
 C STEP 1
 C  SETTING TO ITS VALUE SOME VARIABLES
       R122=R12(1)**2+R12(2)**2+R12(3)**2
       R12EU1=R12(1)*U1(1)+R12(2)*U1(2)+R12(3)*U1(3)
       R12EU2=R12(1)*U2(1)+R12(2)*U2(2)+R12(3)*U2(3)
       U1EU2=U1(1)*U2(1)+U1(2)*U2(2)+U1(3)*U2(3)
       CC=1.-U1EU2**2
 C CHECKING WHETHER THE RODS ARE OR NOT PARALLEL
       IF (CC.LT.1.E-6) THEN
         IF (R12EU1.NE.0.) THEN
             XLANDA=SIGN(XL1D2,R12EU1)
             GO TO 10
         ELSE
             XLANDA=0.
             XMU=0.
             GO TO 20
         ENDIF
       ENDIF
 C   EVALUATION OF XLANDA PRIMA AND XMU PRIMA
       XLANDA=(R12EU1-U1EU2*R12EU2)/CC
       XMU=(-R12EU2+U1EU2*R12EU1)/CC
 C END OF STEP 1   OF THE ALGORITHM
 C ******************************
 C STEP 2
 C   CHECKING WHETHER (XLANDA PRIMA,XMUPRIMA) BELONGS  TO THE
 C   RECTANGLE DEFINED BY THE TWO SEGMENTS IN THE XLANDA,XMU SPACE
       IF ((ABS(XLANDA).LE.XL1D2).AND.(ABS(XMU).LE.XL2D2)) GO TO 20
 C END OF STEP 2 OF THE ALGORITHM
 C *********************************
       AUXI1=ABS(XLANDA)-XL1D2
       AUXI2=ABS(XMU)-XL2D2
 C **********************
 C STEP 3
 C   ASIGNEMENT OF THE SIDE OF THE SQUARE WHERE THE SHORTEST DISTANCE
 C   BETWEEN THE RODS STANDS
         IF ( AUXI1.GT.AUXI2) THEN
            XLANDA=SIGN(XL1D2,XLANDA)
 C END OF STEP 3
 C **********************
 C STEP 4
 C  LOOKING FOR THE LOCAL MINIMA OF THE LINE WHICH CONTAINS
 C  THE SELECTED SIDE OF THE SQUARE
 10         XMU=XLANDA*U1EU2-R12EU2
 C  IF THE LOCAL MINIMUM DOES NOT BELONG TO THE SIDE OF THE SQUARE
 C  THEN GIVE US THE NEAREST CORNER OF THE SQUARE ON THE STUDIED LINE
            IF ( ABS(XMU).GT.XL2D2) XMU=SIGN(XL2D2,XMU)
 C END OF STEP 4
 C ************************
 C STEP 3
 C   ASIGNEMENT OF THE SIDE OF THE SQUARE WHERE THE SHORTEST DISTANCE
 C   BETWEEN THE RODS STANDS
         ELSE
            XMU=SIGN(XL2D2,XMU)
 C END OF STEP 3
 C **********************
 C STEP 4
 C  LOOKING FOR THE LOCAL MINIMA OF THE LINE WHICH CONTAINS
 C  THE SELECTED SIDE OF THE SQUARE
            XLANDA=XMU*U1EU2+R12EU1
 C  IF THE LOCAL MINIMUM DOES NOT BELONG TO THE SIDE OF THE SQUARE
 C  THEN GIVE US THE NEAREST CORNER OF THE SQUARE ON THE STUDIED LINE
            IF ( ABS(XLANDA).GT.XL1D2) XLANDA=SIGN(XL1D2,XLANDA)
         ENDIF
 C END OF STEP 4
 C ***********************
 C STEP 5
 C ONCE WE KNOW THE COORDINATES (XLANDA,XMU) IN THE XLANDA,XMU
 C SPACE WHERE STANDS THE SHORTEST DISTANCE BETWEEN THE SEGMENTS
 C EVALUATION OF THE SHORTEST DISTANCE
 20    RO2=R122+XLANDA**2+XMU**2-2.*XLANDA*XMU*U1EU2
      1    +2.*XMU*R12EU2-2.*XLANDA*R12EU1
 C END OF STEP 5
 C **********************
       RETURN
       END


==References==
#[http://dx.doi.org/10.1016/0097-8485(94)80023-5   Carlos Vega and Santiago Lago "A fast algorithm to evaluate the shortest distance between rods", Computers & Chemistry  '''18''' pp. 55-59 (1994)]

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[[category: Fortran code]]