Fixed typo in gather_bonds example
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@ -1444,13 +1444,13 @@ Procedures Bound to the :f:type:`lammps` Derived Type
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USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT
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USE LIBLAMMPS
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IMPLICIT NONE
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INTEGER(c_int), DIMENSION(:), ALLOCATABLE :: bonds_array
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INTEGER(c_int), DIMENSION(:,:), POINTER :: bonds
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INTEGER(c_int), DIMENSION(:), ALLOCATABLE :: bonds
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INTEGER(c_int), DIMENSION(:,:), POINTER :: bonds_array
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TYPE(lammps) :: lmp
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INTEGER :: i
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! other commands to initialize LAMMPS, create bonds, etc.
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CALL lmp%gather_bonds(bonds)
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bonds(1:3,1:size(bonds)/3) => bonds_array
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bonds_array(1:3,1:size(bonds)/3) => bonds
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DO i = 1, size(bonds)/3
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WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4)') 'bond', bonds(1,i), &
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'; type = ', bonds(2,i), bonds(3,i)
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