diff --git a/mc_lj_ll_module.f90 b/mc_lj_ll_module.f90 index 60f627d..0556910 100644 --- a/mc_lj_ll_module.f90 +++ b/mc_lj_ll_module.f90 @@ -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 @@ -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