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Fixed a bug (xz and yz reversed) in LAMMPS.F90 and changed mpif90 to mpifort in README for files in examples/COUPLE/fortran2

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Karl Hammond
2022-08-10 11:11:27 -05:00
parent ee89ef6084
commit 15261aaa71
2 changed files with 10 additions and 10 deletions
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examples/COUPLE/fortran2/LAMMPS.F90
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@ -1105,7 +1105,7 @@ contains !! Wrapper functions local to this module {{{1
C_xy = xy
C_xz = xz
C_yz = yz
call lammps_actual_reset_box (ptr, C_boxlo, C_boxhi, C_xy, C_xz, C_yz)
call lammps_actual_reset_box (ptr, C_boxlo, C_boxhi, C_xy, C_yz, C_xz)
end subroutine lammps_reset_box
! lammps_gather_atoms {{{2