Commit 45b29a8e authored by Yingzhou Li's avatar Yingzhou Li

Added verbose for all rci methods

parent ddbf5424
......@@ -573,6 +573,11 @@ contains
n = n + next
next = n_state - int(sum(Vec_conv(1:n)), i4)
Vec_evold = Vec_ev
if (r_h%verbose > 0) write(*,'(a,i5,a,es15.7e3)') &
'Iter ', niter, ', Rel Err: ', sum(abs((Vec_ev(1:n_state) &
- Vec_evold(1:n_state))/Vec_ev(1)))
call rci_op_null(task)
if (next == 0 .or. niter >= max_iter) then
ijob = SID_FINISH
......@@ -805,7 +810,10 @@ contains
if (ijob == SID_FINISH + 3) then
r_h%total_energy = sum(Vec_ev(1:n_state))
r_h%total_iter = niter
print*, Vec_ev(1:n_state)
if (r_h%verbose > 0) then
write(*,*) 'Eigenvalues are:'
print *, Vec_ev(1:n_state)
end if
deallocate (Vec_conv)
deallocate (Vec_ev)
deallocate (Vec_evsub)
......
......@@ -577,7 +577,7 @@ contains
e_diff = 2.0_r8*abs((e_min - e_min_old)/(e_min + e_min_old))
resvec(1) = e_min
if (r_h%verbose > 0) write(*,'(a,i5,a,es15.7e3)') &
'Iter ', icg, ', Rel Err: ' e_diff
'Iter ', icg, ', Rel Err: ', e_diff
if (e_diff <= tol_iter) then
conv = .true.
ijob = SID_FINISH
......@@ -843,7 +843,10 @@ contains
! - Psi = Psi*G
if (ijob == SID_FINISH + 4) then
r_h%total_energy = sum(resvec(1:n))
print *, resvec(1:n)
if (r_h%verbose > 0) then
write(*,*) 'Eigenvalues are:'
print *, resvec(1:n)
end if
call rci_op_gemm(iS, task, 'N', 'N', m, n, &
n, 1.0_r8, &
MID_C, m, MID_HW, max_n, 0.0_r8, &
......
......@@ -1313,6 +1313,8 @@ contains
trdiff = abs(trG-trG_old)
trG_old = trG
if (r_h%verbose > 0) write(*,'(a,i5,a,es15.7e3)') &
'Iter ', iter, ', Rel Err: ', trdiff
if ((trdiff < tol_iter*sqrt(dble(nact))) &
.or. (iter == max_iter)) then
call rci_op_null(task)
......@@ -1346,7 +1348,10 @@ contains
if (ijob == SID_FINISH + 2) then
r_h%total_iter = iter
print*, resvec(1:n)
if (r_h%verbose > 0) then
write(*,*) 'Eigenvalues are:'
print *, resvec(1:n)
end if
call rci_op_converge(task, trdiff < tol_iter*sqrt(dble(nact)))
return
end if
......
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