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!
! Written by Leandro MartÃnez, 2009-2011.
! Copyright (c) 2009-2018, Leandro MartÃnez, Jose Mario Martinez,
! Ernesto G. Birgin.
!
! Subroutine writesuccess
!
! Writes the success messages for good packings
!
subroutine writesuccess(itype,fdist,frest,f)
use input, only : input_itype
use compute_data, only : ntype
use ahestetic
implicit none
integer :: itype
double precision :: fdist, frest, f
if(itype.le.ntype) then
write(*,dash1_line)
write(*,*)' Packing solved for molecules of type', input_itype(itype)
write(*,*)' Objective function value: ', f
write(*,*)' Maximum violation of target distance: ',fdist
write(*,*)' Max. constraint violation: ', frest
write(*,dash1_line)
else
write(*,hash3_line)
write(*,"(&
&t33, ' Success! ', /,&
&t14, ' Final objective function value: ', e10.5, /,&
&t14, ' Maximum violation of target distance: ', f10.6, /,&
&t14, ' Maximum violation of the constraints: ', e10.5 &
&)") f, fdist, frest
write(*,dash3_line)
write(*,"(&
&t14,' Please cite this work if Packmol was useful: ',/,/,&
&t11,' L. Martinez, R. Andrade, E. G. Birgin, J. M. Martinez, ',/,&
&t9,' PACKMOL: A package for building initial configurations for',/,&
&t19,' molecular dynamics simulations. ',/,&
&t10,' Journal of Computational Chemistry, 30:2157-2164,2009.' )")
write(*,hash3_line)
end if
end subroutine writesuccess
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