program main_prepare_walkers implicit none ! Delete old walkers files if they exist call system ('bash -c "rm -f '//trim(ezfio_filename)//'/electrons/elec_coord_pool{.gz,_size}"') call set_parameters call draw_init_points call run_prepare_walkers call save_elec_coord_full call run end subroutine run implicit none TOUCH elec_coord_full E_loc_min = huge(1.d0) E_loc_max = -huge(1.d0) print *, ' min max' integer :: i do i=1,4 call test_block call save_elec_coord_full TOUCH elec_coord_full E_loc_min = huge(1.d0) E_loc_max = -huge(1.d0) enddo print *, 'Generated ', walk_num, ' walkers' end subroutine set_parameters implicit none include '../types.F' do_prepare = .True. call ezfio_set_properties_e_loc(.True.) qmc_method = t_VMC vmc_algo = t_Langevin ci_threshold = 0.99999 time_step = 0.1 block_time = 2. prepare_walkers_t = 0. time_step_inv = 1./time_step dtime_step = dble(time_step) SOFT_TOUCH vmc_algo ci_threshold time_step prepare_walkers_t block_time time_step_inv dtime_step do_prepare end subroutine test_block implicit none print *, real(E_loc_vmc_block_walk), real(E_loc_min), real(E_loc_max) end