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mention example using the new Fortran module in examples/COUPLE/simple

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Axel Kohlmeyer
2020-10-14 23:29:03 -04:00
parent 88644caaec
commit dc8e6bc5ab
2 changed files with 13 additions and 12 deletions
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7
examples/COUPLE/simple/simple.f90
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@ -116,12 +116,11 @@ PROGRAM f_driver
natoms = NINT(lmp%get_natoms())
ALLOCATE(x(3*natoms))
! these calls are commented out, b/c libfwrapper.c
! needs to be updated to use gather_atoms and scatter_atoms
! these calls are commented out, because they are not interfaced yet
!CALL lammps_gather_atoms(ptr,'x',1,3,x)
!CALL lmp%gather_atoms('x',1,3,x)
!x(1) = x(1) + epsilon
!CALL lammps_scatter_atoms(ptr,'x',1,3,x)
!CALL lmp%scatter_atoms('x',1,3,x)
DEALLOCATE(x)