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QuantumPackage/src/tc_bi_ortho/print_tc_energy.irp.f

33 lines
486 B
Fortran

program print_tc_energy
BEGIN_DOC
! TODO : Put the documentation of the program here
END_DOC
implicit none
print *, 'Hello world'
my_grid_becke = .True.
!my_n_pt_r_grid = 30
!my_n_pt_a_grid = 50
my_n_pt_r_grid = 100
my_n_pt_a_grid = 170
!my_n_pt_r_grid = 100
!my_n_pt_a_grid = 266
read_wf = .True.
touch read_wf
PROVIDE j1b_type
print*, 'j1b_type = ', j1b_type
touch my_grid_becke my_n_pt_r_grid my_n_pt_a_grid
call write_tc_energy()
end