| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | i |
subroutine makePopSnapshot(i) use real_time_data, only: popSnapshot, snapshotOrbs, numSnapshotOrbs implicit none integer, intent(in) :: i integer :: iOrb, nI(nel), iEl, part real(dp) :: avPop, tmpSign(lenof_sign) call decode_bit_det(nI, CurrentDets(:, i)) do iOrb = 1, numSnapshotOrbs do iEl = 1, nel if (nI(iEl) == snapshotOrbs(iOrb)) then avPop = 0 call extract_sign(CurrentDets(:, i), tmpSign) do part = 1, lenof_sign avPop = avPop + abs(tmpSign(part)) end do avPop = avPop / inum_runs popSnapshot(iOrb) = popSnapshot(iOrb) + avPop end if end do end do end subroutine makePopSnapshot