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fixed problem with truncated mo_coef_imag save

This commit is contained in:
Kevin Gasperich 2020-01-27 13:38:29 -06:00
parent 5eb1c17614
commit 394b6ce404

View File

@ -83,7 +83,7 @@ subroutine save_mos_truncated(n)
call ezfio_set_mo_basis_mo_class(mo_class)
if (is_periodic) then
buffer = 0.d0
do j = 1, mo_num
do j = 1, n
do i = 1, ao_num
buffer(i,j) = mo_coef_imag(i,j)
enddo