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Michael-P-Allen committed Nov 29, 2019
1 parent 8d55fd3 commit 89df5b6
Showing 1 changed file with 1 addition and 6 deletions.
7 changes: 1 addition & 6 deletions mc_lj_ll_module.f90
Original file line number Diff line number Diff line change
Expand Up @@ -26,11 +26,7 @@ MODULE mc_module
!------------------------------------------------------------------------------------------------!

! This (together with link_list_module.f90) functions as a drop-in replacement
! for mc_lj_module.f90 which should work in our constant-NVT and zVT programs.
! However, we have adopted a simple approach of setting up the list structure,
! by calling initialize_list (in allocate_arrays) and make_list (in potential),
! just once at the start of the run. Consequently some modifications would be
! needed to make it work with the constant-NPT program, with varying box length.
! for mc_lj_module.f90 which should work in our constant-NVT NPT and zVT programs.

USE, INTRINSIC :: iso_fortran_env, ONLY : output_unit, error_unit

Expand Down Expand Up @@ -120,7 +116,6 @@ SUBROUTINE allocate_arrays ( box, r_cut )
STOP 'Error in allocate_arrays'
END IF

! We assume that box will not change during the run
CALL initialize_list ( n, r_cut_box )

END SUBROUTINE allocate_arrays
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