hdiff output

r30471/ljdiff.f 2016-05-18 16:30:08.733582647 +0100 r30470/ljdiff.f 2016-05-18 16:30:08.929585282 +0100
 50:                DIST=DIST*R6 50:                DIST=DIST*R6
 51:                XG(J2,J1)=-24.0D0*(2.0D0*R6-1.0D0)*DIST 51:                XG(J2,J1)=-24.0D0*(2.0D0*R6-1.0D0)*DIST
 52:                XG(J1,J2)=XG(J2,J1) 52:                XG(J1,J2)=XG(J2,J1)
 53:             ENDDO 53:             ENDDO
 54:          ENDDO 54:          ENDDO
 55:       ELSEIF (GTEST) THEN 55:       ELSEIF (GTEST) THEN
 56:          DO J1=1,N 56:          DO J1=1,N
 57:             R2(J1,J1)=0.0D0 57:             R2(J1,J1)=0.0D0
 58:             R8(J1,J1)=0.0D0 58:             R8(J1,J1)=0.0D0
 59:             R14(J1,J1)=0.0D0 59:             R14(J1,J1)=0.0D0
 60:             XG(J1,J1)=0.0D0 
 61:             DO J2=J1+1,N 60:             DO J2=J1+1,N
 62:                R2(J2,J1)=(X(3*(J1-1)+1)-X(3*(J2-1)+1))**2 61:                R2(J2,J1)=(X(3*(J1-1)+1)-X(3*(J2-1)+1))**2
 63:      1                  +(X(3*(J1-1)+2)-X(3*(J2-1)+2))**2 62:      1                  +(X(3*(J1-1)+2)-X(3*(J2-1)+2))**2
 64:      2                  +(X(3*(J1-1)+3)-X(3*(J2-1)+3))**2 63:      2                  +(X(3*(J1-1)+3)-X(3*(J2-1)+3))**2
 65:                R2(J2,J1)=1.0D0/R2(J2,J1) 64:                R2(J2,J1)=1.0D0/R2(J2,J1)
 66:                R6=R2(J2,J1)**3 65:                R6=R2(J2,J1)**3
 67:                ENERGY=ENERGY+R6*(R6-1.0D0) 66:                ENERGY=ENERGY+R6*(R6-1.0D0)
 68:                R8(J2,J1)=R2(J2,J1)**4 67:                R8(J2,J1)=R2(J2,J1)**4
 69:                R14(J2,J1)=R8(J2,J1)*R8(J2,J1)/R2(J2,J1) 68:                R14(J2,J1)=R8(J2,J1)*R8(J2,J1)/R2(J2,J1)
 70:                R2(J1,J2)=R2(J2,J1) 69:                R2(J1,J2)=R2(J2,J1)


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hdiff - version: 2.1.0