hdiff output

r31731/mc.F 2017-01-21 10:36:14.194250000 +0000 r31730/mc.F 2017-01-21 10:36:14.462250000 +0000
827:                ENDIF827:                ENDIF
828: 828: 
829: !829: !
830: ! csw34> Coordinates are saved so that moves can be undone830: ! csw34> Coordinates are saved so that moves can be undone
831: !831: !
832:                SAVECOORDS(1:3*NATOMS)=COORDS(1:3*NATOMS,JP)832:                SAVECOORDS(1:3*NATOMS)=COORDS(1:3*NATOMS,JP)
833: ! csw34> If you want to look at the effect of moves, you can dump out833: ! csw34> If you want to look at the effect of moves, you can dump out
834: ! the structure BEFORE the move here.834: ! the structure BEFORE the move here.
835: !                 CALL A9DUMPPDB(COORDS(:,JP),"beforemove")835: !                 CALL A9DUMPPDB(COORDS(:,JP),"beforemove")
836: !                 CALL CHARMMDUMP(COORDS(:,JP),'beforemove')836: !                 CALL CHARMMDUMP(COORDS(:,JP),'beforemove')
837:                IF (MACROIONT) THEN837:                IF (MACROIONT.AND..NOT.SANDBOXT) THEN
838:                   IF(RANDOMSEEDT) THEN 
839:                     CALL DATE_AND_TIME(DATECHAR,TIMECHAR,ZONECHAR,VALUES) 
840:                     ITIME1 = VALUES(6) * 60 + VALUES(7) 
841:                     CALL SDPRND(ITIME1 + MYNODE) 
842:                   END IF 
843:  
844:                 CALL MACROION_MOVES(J1,COORDS(:,JP),movableatomlist,nmovableatoms,ligmovet,blockmovet,nblocks,838:                 CALL MACROION_MOVES(J1,COORDS(:,JP),movableatomlist,nmovableatoms,ligmovet,blockmovet,nblocks,
845:      1                              atomsinblock,STEP(JP))839:      1                              atomsinblock,STEP(JP))
846:  
847:                 IF(SANDBOXT) CALL SANDBOX_TAKESTEP(JP) 
848:                ELSE840:                ELSE
849: !841: !
850: ! UNIVERSAL STEP TAKING842: ! UNIVERSAL STEP TAKING
851: !843: !
852: 844: 
853: ! csw34> Rigid body EXPAND moves845: ! csw34> Rigid body EXPAND moves
854:                      IF (RIGIDINIT.AND.EXPANDRIGIDT.AND.DOEXPANDRIGID) THEN846:                      IF (RIGIDINIT.AND.EXPANDRIGIDT.AND.DOEXPANDRIGID) THEN
855:                         CALL GENRIGID_EXPAND(COORDS(:,JP), EXPANDFACTOR) 847:                         CALL GENRIGID_EXPAND(COORDS(:,JP), EXPANDFACTOR) 
856:                      ENDIF848:                      ENDIF
857: ! csw34> Rigid body rotation moves849: ! csw34> Rigid body rotation moves


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hdiff - version: 2.1.0