hdiff output

r30244/finalio.f90 2016-04-07 10:30:08.539745147 +0100 r30243/finalio.f90 2016-04-07 10:30:08.755748030 +0100
341:                    'finalio> ***WARNING*** DSYEV error status', INFO341:                    'finalio> ***WARNING*** DSYEV error status', INFO
342:            ENDIF342:            ENDIF
343:            J3=0343:            J3=0
344:            WRITE(MYUNIT,'(A,I6,A)',ADVANCE='NO') &344:            WRITE(MYUNIT,'(A,I6,A)',ADVANCE='NO') &
345:                 'finalio> ',3*NATOMS,' Hessian eigenvalues:'345:                 'finalio> ',3*NATOMS,' Hessian eigenvalues:'
346:            DO J2=1,3*NATOMS346:            DO J2=1,3*NATOMS
347:               WRITE(MYUNIT,'(1X, E12.5E2)',ADVANCE='NO') EVALS(J2)347:               WRITE(MYUNIT,'(1X, E12.5E2)',ADVANCE='NO') EVALS(J2)
348:               IF(EVALS(J2) < - ABS(HESS_EIGEN_TOL)) THEN348:               IF(EVALS(J2) < - ABS(HESS_EIGEN_TOL)) THEN
349:                  WRITE(MYUNIT,*)349:                  WRITE(MYUNIT,*)
350:                  WRITE(MYUNIT,'(A)') &350:                  WRITE(MYUNIT,'(A)') &
351:                       'finalio> WARNING: -ve eigenvalue => not writing to ''lowest''!'351:                       'finalio> WARNING: -ve eigenvalue => skipping!'
352:                  CYCLE savemin352:                  CYCLE savemin
353:               ELSEIF(ABS(EVALS(J2)) < ABS(HESS_EIGEN_TOL)) THEN 353:               ELSEIF(ABS(EVALS(J2)) < ABS(HESS_EIGEN_TOL)) THEN 
354:                  J3=J3+1354:                  J3=J3+1
355:               ENDIF355:               ENDIF
356:            ENDDO356:            ENDDO
357:            WRITE(MYUNIT,*)357:            WRITE(MYUNIT,*)
358:            IF(J3 /= NUM_ZERO_EVS) THEN358:            IF(J3 /= NUM_ZERO_EVS) THEN
359:               WRITE(MYUNIT,'(A,I6,A)') &359:               WRITE(MYUNIT,'(A,I6)') &
360:                    'finalio> WARNING: Unexpected number of zero eigenvalues: ',J3,' => not writing to ''lowest''!'360:                    'finalio> WARNING: Unexpected number of zero evals ',J3
361:            ELSE361:            ELSE
362:               WRITE(MYUNIT,'(A,I6,A)') &362:               WRITE(MYUNIT,'(A,I6,A)') &
363:                    'finalio> Detected ', J3,' zero eigenvalues.'363:                    'finalio> Detected ', J3,' zero eigenvalues.'
364:            ENDIF364:            ENDIF
365:            ! Log prod. of frequencies is log prod. of sqrt of evals 365:            ! Log prod. of frequencies is log prod. of sqrt of evals 
366:            LOG_PROD = &366:            LOG_PROD = &
367:                 SUM(DLOG(EVALS(NUM_ZERO_EVS+1:3*NATOMS)))367:                 SUM(DLOG(EVALS(NUM_ZERO_EVS+1:3*NATOMS)))
368:            WRITE(MYUNIT,'(A,I6,A,G20.10)') &368:            WRITE(MYUNIT,'(A,I6,A,G20.10)') &
369:                 'finalio> Log product of ', &369:                 'finalio> Log product of ', &
370:                 3*NATOMS-NUM_ZERO_EVS,&370:                 3*NATOMS-NUM_ZERO_EVS,&


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hdiff - version: 2.1.0