subroutine metropolis_montecarlo(a,nmax,tau,energy,accep) implicit none double precision, intent(in) :: a integer*8 , intent(in) :: nmax double precision, intent(in) :: tau double precision, intent(out) :: energy double precision, intent(out) :: accep integer*8 :: istep double precision :: r_old(3), r_new(3), psi_old, psi_new double precision :: v, ratio integer*8 :: n_accep double precision, external :: e_loc, psi, gaussian energy = 0.d0 n_accep = 0_8 call random_number(r_old) r_old(:) = tau * (2.d0*r_old(:) - 1.d0) psi_old = psi(a,r_old) do istep = 1,nmax call random_number(r_new) r_new(:) = r_old(:) + tau * (2.d0*r_new(:) - 1.d0) psi_new = psi(a,r_new) ratio = (psi_new / psi_old)**2 call random_number(v) if (v <= ratio) then r_old(:) = r_new(:) psi_old = psi_new n_accep = n_accep + 1_8 endif energy = energy + e_loc(a,r_old) end do energy = energy / dble(nmax) accep = dble(n_accep) / dble(nmax) end subroutine metropolis_montecarlo program qmc implicit none double precision, parameter :: a = 0.9d0 double precision, parameter :: tau = 1.3d0 integer*8 , parameter :: nmax = 100000 integer , parameter :: nruns = 30 integer :: irun double precision :: X(nruns), Y(nruns) double precision :: ave, err do irun=1,nruns call metropolis_montecarlo(a,nmax,tau,X(irun),Y(irun)) enddo call ave_error(X,nruns,ave,err) print *, 'E = ', ave, '+/-', err call ave_error(Y,nruns,ave,err) print *, 'A = ', ave, '+/-', err end program qmc