hdiff output

r29822/OPTIM.F 2016-03-16 18:33:05.910776503 +0000 r29821/OPTIM.F 2016-03-16 18:33:06.106778518 +0000
649:             IF (ATOMMATCHINIT) ATOMMATCHDIST=.FALSE.649:             IF (ATOMMATCHINIT) ATOMMATCHDIST=.FALSE.
650:             IF (BISECTT) THEN650:             IF (BISECTT) THEN
651:                CALL BISECT_OPT(NATOMS,EINITIAL,Q,EFINAL,FIN,DIST)651:                CALL BISECT_OPT(NATOMS,EINITIAL,Q,EFINAL,FIN,DIST)
652:             ELSE652:             ELSE
653:                IF (ALLOCATED(SAVES)) DEALLOCATE(SAVES)653:                IF (ALLOCATED(SAVES)) DEALLOCATE(SAVES)
654:                IF (ALLOCATED(SAVEF)) DEALLOCATE(SAVEF)654:                IF (ALLOCATED(SAVEF)) DEALLOCATE(SAVEF)
655:                ALLOCATE(SAVES(NOPT),SAVEF(NOPT))655:                ALLOCATE(SAVES(NOPT),SAVEF(NOPT))
656:                SAVES(1:NOPT)=Q(1:NOPT)656:                SAVES(1:NOPT)=Q(1:NOPT)
657:                SAVEF(1:NOPT)=FIN(1:NOPT)657:                SAVEF(1:NOPT)=FIN(1:NOPT)
658:                CALL NEWCONNECT(NATOMS,EINITIAL,Q,EFINAL,FIN,DIST,.TRUE.,REDOPATH,REDOPATHXYZ,NOPT)658:                CALL NEWCONNECT(NATOMS,EINITIAL,Q,EFINAL,FIN,DIST,.TRUE.,REDOPATH,REDOPATHXYZ,NOPT)
659:                IF (ALLOCATED(SAVES)) DEALLOCATE(SAVES)659:                DEALLOCATE(SAVES,SAVEF)
660:                IF (ALLOCATED(SAVEF)) DEALLOCATE(SAVEF) 
661:             ENDIF660:             ENDIF
662:          ELSE661:          ELSE
663:             CALL CONNECT(NCDONE,Q)662:             CALL CONNECT(NCDONE,Q)
664:          ENDIF663:          ENDIF
665:          IF (CALCRATES) CALL RATES(NATOMS,NINTS) ! JMC664:          IF (CALCRATES) CALL RATES(NATOMS,NINTS) ! JMC
666:       ELSE IF (MECCANOT) THEN665:       ELSE IF (MECCANOT) THEN
667:          IF (UNRST) THEN666:          IF (UNRST) THEN
668:             DO J1=1,NRES667:             DO J1=1,NRES
669:                C(1,J1)=Q(6*(J1-1)+1)668:                C(1,J1)=Q(6*(J1-1)+1)
670:                C(2,J1)=Q(6*(J1-1)+2)669:                C(2,J1)=Q(6*(J1-1)+2)
946:          PRINT '(A)',' OPTIM> End of multijob coordinates'945:          PRINT '(A)',' OPTIM> End of multijob coordinates'
947:       ENDIF946:       ENDIF
948:       CALL TSUMMARY947:       CALL TSUMMARY
949: 948: 
950:       IF (INTMINT.OR.DESMINT.OR.INTINTERPT.OR.NATINT) CALL INTCLEANUP949:       IF (INTMINT.OR.DESMINT.OR.INTINTERPT.OR.NATINT) CALL INTCLEANUP
951:       IF (UNRST) DEALLOCATE(UREFCOORD,UREFPPSANGLE,INTSTEP)950:       IF (UNRST) DEALLOCATE(UREFCOORD,UREFPPSANGLE,INTSTEP)
952:       IF (ZSYM(NATOMS).EQ.'SV') call cleanMemory951:       IF (ZSYM(NATOMS).EQ.'SV') call cleanMemory
953: 952: 
954:       ENDIF!Call to Dl-find for quantumrate stuff953:       ENDIF!Call to Dl-find for quantumrate stuff
955: 954: 
956:       IF (ALLOCATED(STPMAX)) DEALLOCATE(STPMAX)955:       DEALLOCATE (FROZEN,ZSYM,NR,STPMAX)
957:       IF (ALLOCATED(NR)) DEALLOCATE(NR)956:       DEALLOCATE (TAGFAC,TAGNUM)
958:       IF (ALLOCATED(ZSYM)) DEALLOCATE(ZSYM)957:       IF(ALLOCATED(ATMASS)) DEALLOCATE(ATMASS)
959:       IF (ALLOCATED(FROZEN)) DEALLOCATE(FROZEN)958:       DEALLOCATE (DUMPMODEN,BESTPERM)
960:       IF (ALLOCATED(TAGNUM)) DEALLOCATE(TAGNUM)959:       DEALLOCATE (FROZENRES)
961:       IF (ALLOCATED(TAGFAC)) DEALLOCATE(TAGFAC) 
962:       IF (ALLOCATED(DUMPMODEN)) DEALLOCATE(DUMPMODEN) 
963:       IF (ALLOCATED(BESTPERM)) DEALLOCATE(BESTPERM) 
964:       IF (ALLOCATED(ATMASS)) DEALLOCATE(ATMASS) 
965:       IF (ALLOCATED(FROZENRES)) DEALLOCATE(FROZENRES) 
966:       IF (ALLOCATED(IATNUM)) DEALLOCATE(IATNUM)960:       IF (ALLOCATED(IATNUM)) DEALLOCATE(IATNUM)
967:       IF (ALLOCATED(ATMASS)) DEALLOCATE(ATMASS)961:       IF (ALLOCATED(ATMASS)) DEALLOCATE(ATMASS)
968:       IF (ALLOCATED(REPELTS)) DEALLOCATE(REPELTS) 962:       IF (ALLOCATED(REPELTS)) DEALLOCATE(REPELTS) 
969:       IF (ALLOCATED(VECCHK)) DEALLOCATE(VECCHK)963:       IF (ALLOCATED(VECCHK)) DEALLOCATE(VECCHK)
970:       IF (ALLOCATED(ZWORK)) DEALLOCATE(ZWORK)964:       IF (ALLOCATED(ZWORK)) DEALLOCATE(ZWORK)
971:       IF (ALLOCATED(HESS)) DEALLOCATE(HESS)965:       IF (ALLOCATED(HESS)) DEALLOCATE(HESS)
972:       IF (ALLOCATED(FIN)) DEALLOCATE(FIN)966:       IF (ALLOCATED(FIN)) DEALLOCATE(FIN)
973:       IF (ALLOCATED(START)) DEALLOCATE(START)967:       IF (ALLOCATED(START)) DEALLOCATE(START)
974:       IF (ALLOCATED(QW)) DEALLOCATE(QW)968:       IF (ALLOCATED(QW)) DEALLOCATE(QW)
975:       IF (ALLOCATED(MIEF_SIG)) DEALLOCATE(MIEF_SIG)969:       IF (ALLOCATED(MIEF_SIG)) DEALLOCATE(MIEF_SIG)


legend
Lines Added 
Lines changed
 Lines Removed

hdiff - version: 2.1.0