subroutine variational_montecarlo(a,dt,nmax,energy) implicit none double precision, intent(in) :: a, dt integer*8 , intent(in) :: nmax double precision, intent(out) :: energy integer*8 :: istep double precision :: norm, r_old(3), r_new(3), d_old(3), sq_dt, chi(3) double precision, external :: e_loc sq_dt = dsqrt(dt) ! Initialization energy = 0.d0 norm = 0.d0 call random_gauss(r_old,3) do istep = 1,nmax call drift(a,r_old,d_old) call random_gauss(chi,3) r_new(:) = r_old(:) + dt * d_old(:) + chi(:)*sq_dt norm = norm + 1.d0 energy = energy + e_loc(a,r_new) r_old(:) = r_new(:) end do energy = energy / norm end subroutine variational_montecarlo program qmc implicit none double precision, parameter :: a = 1.2d0 double precision, parameter :: dt = 0.2d0 integer*8 , parameter :: nmax = 100000 integer , parameter :: nruns = 30 integer :: irun double precision :: X(nruns) double precision :: ave, err do irun=1,nruns call variational_montecarlo(a,dt,nmax,X(irun)) enddo call ave_error(X,nruns,ave,err) print *, 'E = ', ave, '+/-', err end program qmc