hdiff output

r32774/orbitals.f90 2017-06-12 13:30:15.951701831 +0100 r32773/orbitals.f90 2017-06-12 13:30:16.171704743 +0100
647:                     DO ORIG_ORBB = 1,NORBS647:                     DO ORIG_ORBB = 1,NORBS
648:                         INTERMEDIATE_SUM(ORIG_ORBA) = INTERMEDIATE_SUM(ORIG_ORBA) + ROTATION(ORIG_ORBB,NEW_ORB) * DIPINTS(DIRECTION,ORIG_ORBA,ORIG_ORBB)648:                         INTERMEDIATE_SUM(ORIG_ORBA) = INTERMEDIATE_SUM(ORIG_ORBA) + ROTATION(ORIG_ORBB,NEW_ORB) * DIPINTS(DIRECTION,ORIG_ORBA,ORIG_ORBB)
649:                     END DO649:                     END DO
650:                 END DO650:                 END DO
651:                 !PRINT*,'DIRECTION=',DIRECTION651:                 !PRINT*,'DIRECTION=',DIRECTION
652:                 !PRINT*,'DIPINTS=',DIPINTS(DIRECTION,:,:)652:                 !PRINT*,'DIPINTS=',DIPINTS(DIRECTION,:,:)
653:                 !PRINT*,'INTERMEDIATE_SUM=',INTERMEDIATE_SUM653:                 !PRINT*,'INTERMEDIATE_SUM=',INTERMEDIATE_SUM
654:                 DO ORIG_ORBA = 1,NORBS654:                 DO ORIG_ORBA = 1,NORBS
655:                     DO ORIG_ORBB = 1,NORBS655:                     DO ORIG_ORBB = 1,NORBS
656:                         IND_ORBVAR_SECOND_DERIV(ORIG_ORBA,ORIG_ORBB,NEW_ORB) = IND_ORBVAR_SECOND_DERIV(ORIG_ORBA,ORIG_ORBB,NEW_ORB) &656:                         IND_ORBVAR_SECOND_DERIV(ORIG_ORBA,ORIG_ORBB,NEW_ORB) = IND_ORBVAR_SECOND_DERIV(ORIG_ORBA,ORIG_ORBB,NEW_ORB) &
657:                                             - 8*INTERMEDIATE_SUM(ORIG_ORBA)*INTERMEDIATE_SUM(ORIG_ORBB) &657:                                             - 4*INTERMEDIATE_SUM(ORIG_ORBA)*INTERMEDIATE_SUM(ORIG_ORBB) &
658:                                             - 4*ORBDIPOLES(DIRECTION,NEW_ORB)*DIPINTS(DIRECTION,ORIG_ORBA,ORIG_ORBB)658:                                             - 2*ORBDIPOLES(DIRECTION,NEW_ORB)*DIPINTS(DIRECTION,ORIG_ORBA,ORIG_ORBB)
659:                     END DO659:                     END DO
660:                 END DO660:                 END DO
661: 661: 
662:             END DO662:             END DO
663:         END DO663:         END DO
664: 664: 
665:     END SUBROUTINE CALC_ORBVAR_SECOND_DERIV665:     END SUBROUTINE CALC_ORBVAR_SECOND_DERIV
666: 666: 
667:     SUBROUTINE CALC_PENALTY_SECOND_DERIV(ORBVAR,IND_ORBVAR_DERIV,IND_ORBVAR_SECOND_DERIV,PENALTY_SECOND_DERIV)667:     SUBROUTINE CALC_PENALTY_SECOND_DERIV(ORBVAR,IND_ORBVAR_DERIV,IND_ORBVAR_SECOND_DERIV,PENALTY_SECOND_DERIV)
668: 668: 


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hdiff - version: 2.1.0