hdiff output

r33246/getmetric.f90 2017-08-29 22:30:18.645023189 +0100 r33245/getmetric.f90 2017-08-29 22:30:18.893026501 +0100
 77: ! that have actually been found! 77: ! that have actually been found!
 78: !  78: ! 
 79:       IF ((DISTANCE.GT.1.0D-10).AND.(.NOT.RANDOMMETRICT)) THEN 79:       IF ((DISTANCE.GT.1.0D-10).AND.(.NOT.RANDOMMETRICT)) THEN
 80:          DO J4=1,NPAIRDONE 80:          DO J4=1,NPAIRDONE
 81:             IF ((PAIR1(J4).EQ.J6).AND.(PAIR2(J4).EQ.J3)) CYCLE min2 81:             IF ((PAIR1(J4).EQ.J6).AND.(PAIR2(J4).EQ.J3)) CYCLE min2
 82:             IF ((PAIR1(J4).EQ.J3).AND.(PAIR2(J4).EQ.J6)) CYCLE min2 82:             IF ((PAIR1(J4).EQ.J3).AND.(PAIR2(J4).EQ.J6)) CYCLE min2
 83:          ENDDO  83:          ENDDO 
 84:          IF (INDEXCOSTFUNCTION) THEN 84:          IF (INDEXCOSTFUNCTION) THEN
 85:             DISTANCE=ABS(J6-J3)  85:             DISTANCE=ABS(J6-J3) 
 86:          ELSEIF (INITIALDIST) THEN 86:          ELSEIF (INITIALDIST) THEN
 87:             IF (DISBOUND.LE.0.0D0) THEN ! do all distances 87:             IF (DISTANCE.GT.1.0D-10) DISTANCE=-DISBOUND
 88:                READ(UMIN,REC=J3) (LOCALPOINTS(J2),J2=1,3*NATOMS) 
 89:                CALL MINPERMDIST(LOCALPOINTS,NEWPOINTSMIN,NATOMS,DEBUG,BOXLX,BOXLY,BOXLZ,BULKT,TWOD,DISTANCE, & 
 90:   &                             DIST2,RIGIDBODY,RMAT,.FALSE.) 
 91:             ELSE 
 92:                IF (DISTANCE.GT.1.0D-10) DISTANCE=-DISBOUND 
 93:             ENDIF 
 94:          ELSE 88:          ELSE
 95:             READ(UMIN,REC=J3) (LOCALPOINTS(J2),J2=1,3*NATOMS) 89:             READ(UMIN,REC=J3) (LOCALPOINTS(J2),J2=1,3*NATOMS)
 96:             CALL MINPERMDIST(LOCALPOINTS,NEWPOINTSMIN,NATOMS,DEBUG,BOXLX,BOXLY,BOXLZ,BULKT,TWOD,DISTANCE, & 90:             CALL MINPERMDIST(LOCALPOINTS,NEWPOINTSMIN,NATOMS,DEBUG,BOXLX,BOXLY,BOXLZ,BULKT,TWOD,DISTANCE, &
 97:   &                          DIST2,RIGIDBODY,RMAT,.FALSE.) 91:   &                          DIST2,RIGIDBODY,RMAT,.FALSE.)
 98:             IF (INTERPCOSTFUNCTION) THEN 92:             IF (INTERPCOSTFUNCTION) THEN
 99:                CALL MINPERMDIST(LOCALPOINTS,NEWPOINTSMIN,NATOMS,DEBUG,BOXLX,BOXLY,BOXLZ,BULKT,TWOD, & 93:                CALL MINPERMDIST(LOCALPOINTS,NEWPOINTSMIN,NATOMS,DEBUG,BOXLX,BOXLY,BOXLZ,BULKT,TWOD, &
100:   &                             DISTANCE,DIST2,RIGIDBODY,RMAT,INTERPCOSTFUNCTION) 94:   &                             DISTANCE,DIST2,RIGIDBODY,RMAT,INTERPCOSTFUNCTION)
101:             ENDIF 95:             ENDIF
102: !     96: !    
103: ! The interpolation metric could be zero for minima that are not actually connected. 97: ! The interpolation metric could be zero for minima that are not actually connected.


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hdiff - version: 2.1.0