hdiff output

r31388/keywords.f 2016-10-26 15:30:11.487443327 +0100 r31387/keywords.f 2016-10-26 15:30:11.867448452 +0100
1158: ! ML quadratic function1158: ! ML quadratic function
1159: !1159: !
1160:       MLQT=.FALSE.1160:       MLQT=.FALSE.
1161:       MLQPROB=.FALSE.1161:       MLQPROB=.FALSE.
1162:       MLQDONE=.FALSE.1162:       MLQDONE=.FALSE.
1163:       MLQNORM=.FALSE.1163:       MLQNORM=.FALSE.
1164:       MLQLAMBDA=0.0D01164:       MLQLAMBDA=0.0D0
1165:       MLQSTART=11165:       MLQSTART=1
1166: 1166: 
1167:       LJADDT=.FALSE.1167:       LJADDT=.FALSE.
1168:       LJADD2T=.FALSE. 
1169: 1168: 
1170:       DUMPMQT=.FALSE.1169:       DUMPMQT=.FALSE.
1171:       1170:       
1172:       CALL FILE_OPEN('data', DATA_UNIT, .FALSE.)1171:       CALL FILE_OPEN('data', DATA_UNIT, .FALSE.)
1173:       1172:       
1174: !      OPEN (5,FILE='data',STATUS='OLD')1173: !      OPEN (5,FILE='data',STATUS='OLD')
1175: 1174: 
1176: !190   CALL INPUT(END,5)1175: !190   CALL INPUT(END,5)
1177: 190   CALL INPUT(END, DATA_UNIT)1176: 190   CALL INPUT(END, DATA_UNIT)
1178:       IF (.NOT. END) THEN1177:       IF (.NOT. END) THEN
4443:             LUNIT=GETUNIT()4442:             LUNIT=GETUNIT()
4444:             OPEN(LUNIT,FILE='epsilon',STATUS='OLD')4443:             OPEN(LUNIT,FILE='epsilon',STATUS='OLD')
4445:             IF (.NOT.ALLOCATED(LJADDEPS)) ALLOCATE(LJADDEPS(NATOMS,NATOMS))4444:             IF (.NOT.ALLOCATED(LJADDEPS)) ALLOCATE(LJADDEPS(NATOMS,NATOMS))
4446:             DO J1=1,NATOMS4445:             DO J1=1,NATOMS
4447:                DO J2=1,NATOMS4446:                DO J2=1,NATOMS
4448:                   READ(LUNIT,*) LJADDEPS(J2,J1)4447:                   READ(LUNIT,*) LJADDEPS(J2,J1)
4449:                   WRITE(MYUNIT,'(2I6,G20.10)') J1,J2,LJADDEPS(J2,J1)4448:                   WRITE(MYUNIT,'(2I6,G20.10)') J1,J2,LJADDEPS(J2,J1)
4450:                ENDDO4449:                ENDDO
4451:             ENDDO4450:             ENDDO
4452:             CLOSE(LUNIT)4451:             CLOSE(LUNIT)
4453:          ELSE IF (WORD.EQ.'LJADD2') THEN 
4454:             LJADDT=.TRUE. 
4455:             LJADD2T=.TRUE. 
4456:             CALL READI(NADDTARGET) 
4457:             WRITE(MYUNIT,'(A,I6)') 'keyword> Target cluster size is ',NADDTARGET 
4458:             IF (MOD(NATOMS,NADDTARGET).NE.0) THEN 
4459:                WRITE(MYUNIT,'(A,I6)') 'keyword> ERROR, target cluster size is not a factor of the nummber of the atoms ',NATOMS 
4460:                STOP 
4461:             ENDIF 
4462:             LUNIT=GETUNIT() 
4463:             OPEN(LUNIT,FILE='epsilon',STATUS='OLD') 
4464:             IF (.NOT.ALLOCATED(LJADDEPS)) ALLOCATE(LJADDEPS(NADDTARGET,NADDTARGET)) 
4465:             DO J1=1,NADDTARGET 
4466:                DO J2=1,NADDTARGET 
4467:                   READ(LUNIT,*) LJADDEPS(J2,J1) 
4468:                   WRITE(MYUNIT,'(2I6,G20.10)') J1,J2,LJADDEPS(J2,J1) 
4469:                ENDDO 
4470:             ENDDO 
4471:             CLOSE(LUNIT) 
4472: !4452: !
4473: ! LJAT4453: ! LJAT
4474: !4454: !
4475:       ELSE IF (WORD.EQ.'LJAT') THEN4455:       ELSE IF (WORD.EQ.'LJAT') THEN
4476:          LJATT=.TRUE.4456:          LJATT=.TRUE.
4477:          CALL READF(ZSTAR)4457:          CALL READF(ZSTAR)
4478:          LJATTOC=2.423D04458:          LJATTOC=2.423D0
4479:          IF (NITEMS.EQ.3) CALL READF(LJATTOC)4459:          IF (NITEMS.EQ.3) CALL READF(LJATTOC)
4480:       ELSE IF (WORD.EQ.'LOCALSAMPLE') THEN4460:       ELSE IF (WORD.EQ.'LOCALSAMPLE') THEN
4481:          LOCALSAMPLET=.TRUE.4461:          LOCALSAMPLET=.TRUE.


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hdiff - version: 2.1.0