diff --git a/plugins/mrcepa0/mrcepa0_general.irp.f b/plugins/mrcepa0/mrcepa0_general.irp.f index f2630520..53fa74a1 100644 --- a/plugins/mrcepa0/mrcepa0_general.irp.f +++ b/plugins/mrcepa0/mrcepa0_general.irp.f @@ -38,12 +38,12 @@ subroutine run(N_st,energy) do while (delta_E > thresh_mrcc) iteration += 1 print *, '===============================================' - print *, 'MRCEPA0 Iteration', iteration, '/', n_it_mrcc_max + print *, 'Iteration', iteration, '/', n_it_mrcc_max print *, '===============================================' print *, '' E_old = sum(ci_energy_dressed(1:N_states)) do i=1,N_st - call write_double(6,ci_energy_dressed(i),"MRCEPA0 energy") + call write_double(6,ci_energy_dressed(i),"Energy") enddo call diagonalize_ci_dressed(lambda) E_new = sum(ci_energy_dressed(1:N_states)) @@ -61,7 +61,7 @@ subroutine run(N_st,energy) exit endif enddo - call write_double(6,ci_energy_dressed(1),"Final MRCEPA0 energy") + call write_double(6,ci_energy_dressed(1),"Final energy") endif energy(1:N_st) = ci_energy_dressed(1:N_st) end