hdiff output

r22461/eef1.src 2017-01-21 10:33:39.350250000 +0000 r22460/eef1.src 2017-01-21 10:33:39.910250000 +0000
458:                   ENDIF458:                   ENDIF
459:                   NXI=NXI+1459:                   NXI=NXI+1
460:                   GOTO 40460:                   GOTO 40
461:                 ENDIF461:                 ENDIF
462: c not excluded, calculate solvation462: c not excluded, calculate solvation
463:    60           DXI=X(I)-X(J)463:    60           DXI=X(I)-X(J)
464:                 DYI=Y(I)-Y(J)464:                 DYI=Y(I)-Y(J)
465:                 DZI=Z(I)-Z(J)465:                 DZI=Z(I)-Z(J)
466:                 RSQ=DXI*DXI+DYI*DYI+DZI*DZI466:                 RSQ=DXI*DXI+DYI*DYI+DZI*DZI
467:                 IF (RSQ.LT.1.D-9) THEN467:                 IF (RSQ.LT.1.D-9) THEN
468: c csw34> Required PRNLEV 10 to print this as it was filling the disk!468:                   PRINT *,'WARNING: RSQ LESS THAN 10^-9'
469:                   IF (PRNLEV .GT. 9) THEN469:                   PRINT *,'ASSIGNING VALUE OF 10^-9 IN EEF1'
470:                      PRINT *,'WARNING: RSQ LESS THAN 10^-9' 
471:                      PRINT *,'ASSIGNING VALUE OF 10^-9 IN EEF1' 
472:                   ENDIF    
473:                   RSQ=1.D-9470:                   RSQ=1.D-9
474:                 ENDIF471:                 ENDIF
475:                 IF (RSQ.GT.CTFSLV) GOTO 80472:                 IF (RSQ.GT.CTFSLV) GOTO 80
476:                 ARSQ=ONE/RSQ473:                 ARSQ=ONE/RSQ
477: 474: 
478: C jdb Call the switching function.  S is returned as the value of the switching475: C jdb Call the switching function.  S is returned as the value of the switching
479: C function, and DS is the derivation with respect to R.  We use the nonbond476: C function, and DS is the derivation with respect to R.  We use the nonbond
480: C switching distances CUTOFF and CUTON477: C switching distances CUTOFF and CUTON
481:                 RDIST= SQRT(RSQ)478:                 RDIST= SQRT(RSQ)
482:                 CALL SWITCHFUNC(RDIST,CUTON,CUTOFF,S,DS,DDS)479:                 CALL SWITCHFUNC(RDIST,CUTON,CUTOFF,S,DS,DDS)


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hdiff - version: 2.1.0