hdiff output

r29400/keywords.f 2015-11-17 23:34:30.605719843 +0000 r29399/keywords.f 2015-11-17 23:34:30.797722414 +0000
3633: ! hk2863633: ! hk286
3634:                   ATOMGROUPS(J1,GROUPATOM)=.TRUE. 3634:                   ATOMGROUPS(J1,GROUPATOM)=.TRUE. 
3635:                END DO 3635:                END DO 
3636:             ELSE3636:             ELSE
3637:                WRITE(MYUNIT,'(A)') ' keyword: ERROR! Group file not formatted correctly!'3637:                WRITE(MYUNIT,'(A)') ' keyword: ERROR! Group file not formatted correctly!'
3638:                STOP3638:                STOP
3639:             ENDIF3639:             ENDIF
3640:             WRITE(MYUNIT,'(3A)') '<GROUP ',TRIM(ADJUSTL(ATOMGROUPNAMES(J1))),'>'3640:             WRITE(MYUNIT,'(3A)') '<GROUP ',TRIM(ADJUSTL(ATOMGROUPNAMES(J1))),'>'
3641:             WRITE(MYUNIT,'(A,I3)') 'Index: ',J13641:             WRITE(MYUNIT,'(A,I3)') 'Index: ',J1
3642:             WRITE(MYUNIT,'(A,I4)') 'Size: ',GROUPSIZE3642:             WRITE(MYUNIT,'(A,I4)') 'Size: ',GROUPSIZE
3643:             WRITE(MYUNIT,'(A,2I6)') 'Atoms defining axis: ',ATOMGROUPAXIS(J1,1),ATOMGROUPAXIS(J1,2)3643:             WRITE(MYUNIT,'(A,2I5)') 'Atoms defining axis: ',ATOMGROUPAXIS(J1,1),ATOMGROUPAXIS(J1,2)
3644:             WRITE(MYUNIT,'(A,F5.2)') 'Rotation scaling: ',ATOMGROUPSCALING(J1)3644:             WRITE(MYUNIT,'(A,F5.2)') 'Rotation scaling: ',ATOMGROUPSCALING(J1)
3645:             WRITE(MYUNIT,'(A,F5.4)') 'Selection probablity: ',ATOMGROUPPSELECT(J1)3645:             WRITE(MYUNIT,'(A,F5.2)') 'Selection probablity: ',ATOMGROUPPSELECT(J1)
3646:             WRITE(MYUNIT,'(A)') 'Members:'3646:             WRITE(MYUNIT,'(A)') 'Members:'
3647:             DO J2=1,NATOMSALLOC3647:             DO J2=1,NATOMSALLOC
3648:                IF(ATOMGROUPS(J1,J2)) WRITE(MYUNIT,*) J23648:                IF(ATOMGROUPS(J1,J2)) WRITE(MYUNIT,*) J2
3649:             ENDDO3649:             ENDDO
3650:          ENDDO3650:          ENDDO
3651:          CLOSE(222)3651:          CLOSE(222)
3652: 3652: 
3653: ! Keyword to suppress output of group rotation moves3653: ! Keyword to suppress output of group rotation moves
3654:       ELSE IF (WORD .EQ. 'QUIETGROUPROT') THEN3654:       ELSE IF (WORD .EQ. 'QUIETGROUPROT') THEN
3655:          GROUPROT_SUPPRESS = .TRUE.3655:          GROUPROT_SUPPRESS = .TRUE.


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hdiff - version: 2.1.0