hdiff output

r30115/shannon.f90 2017-01-21 10:38:53.594677160 +0000 r30114/shannon.f90 2017-01-21 10:38:53.826694138 +0000
176: FRUSTRATION=0.0D0176: FRUSTRATION=0.0D0
177: PRENORM=0.0D0177: PRENORM=0.0D0
178: HIGHESTPEQ(1:NPEQ)=-1.0D0178: HIGHESTPEQ(1:NPEQ)=-1.0D0
179: PSUM=0.0D0179: PSUM=0.0D0
180: DO J1=1,NMIN180: DO J1=1,NMIN
181:    DUMMY=EXP(PFMIN(J1)-PFMIN(1)-LOG(PFNORM2))181:    DUMMY=EXP(PFMIN(J1)-PFMIN(1)-LOG(PFNORM2))
182:    DUMMY2=EXP(PFMIN(J1)-PFMIN(1)-LOG(PFNORM2))182:    DUMMY2=EXP(PFMIN(J1)-PFMIN(1)-LOG(PFNORM2))
183:    IF (DEBUG) WRITE(*,'(F20.10,I6,2G20.10)') EMIN(J1),HORDERMIN(J1),  &183:    IF (DEBUG) WRITE(*,'(F20.10,I6,2G20.10)') EMIN(J1),HORDERMIN(J1),  &
184:   &              EXP(-FVIBMIN(J1)/2.0D0-LOG(1.0D0*HORDERMIN(J1))-LOG(PFNORM1)+ FVIBMIN(1)/2.0D0 + LOG(1.0D0*HORDERMIN(1))),  &184:   &              EXP(-FVIBMIN(J1)/2.0D0-LOG(1.0D0*HORDERMIN(J1))-LOG(PFNORM1)+ FVIBMIN(1)/2.0D0 + LOG(1.0D0*HORDERMIN(1))),  &
185:   &              DUMMY185:   &              DUMMY
186:    IF(BARRIER(J1).GT.0.0D0.OR.J1.EQ.NGMIN) SENTROPY=SENTROPY+DUMMY*LOG(DUMMY)186:    SENTROPY=SENTROPY+DUMMY*LOG(DUMMY)
187:    IF(BARRIER(J1).GT.0.0D0.OR.J1.EQ.NGMIN) PSUM=PSUM+DUMMY187:    PSUM=PSUM+DUMMY
188:    IF (J1.NE.NGMIN) FRUSTRATION=FRUSTRATION+DUMMY*BARRIER(J1)188:    IF (J1.NE.NGMIN) FRUSTRATION=FRUSTRATION+DUMMY*BARRIER(J1)
189:    IF (J1.NE.NGMIN.AND.BARRIER(J1).GT.0.0D0) PRENORM=PRENORM+DUMMY189:    IF (J1.NE.NGMIN.AND.BARRIER(J1).GT.0.0D0) PRENORM=PRENORM+DUMMY
190: !190: !
191: ! Maintain ordered list of the NPEQ highest probability minima at this temperature191: ! Maintain ordered list of the NPEQ highest probability minima at this temperature
192: !192: !
193:    sortloop: DO J3=1,NPEQ ! sort to find the largest barriers to product193:    sortloop: DO J3=1,NPEQ ! sort to find the largest barriers to product
194:       IF (DUMMY.GT.HIGHESTPEQ(J3)) THEN194:       IF (DUMMY.GT.HIGHESTPEQ(J3)) THEN
195:          DO J4=NPEQ,J3+1,-1195:          DO J4=NPEQ,J3+1,-1
196:             NHIGHESTPEQ(J4)=NHIGHESTPEQ(J4-1)196:             NHIGHESTPEQ(J4)=NHIGHESTPEQ(J4-1)
197:             HIGHESTPEQ(J4)=HIGHESTPEQ(J4-1)197:             HIGHESTPEQ(J4)=HIGHESTPEQ(J4-1)


legend
Lines Added 
Lines changed
 Lines Removed

hdiff - version: 2.1.0