LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-13 08:05:17 +02:00
Code Releases Activity

fixed complex/real bug

Browse Source
This commit is contained in:
Kevin Gasperich 2020-03-16 11:38:19 -05:00
parent 072067c4fa
commit 8e615f6788
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
src/determinants/slater_rules.irp.f
View File

@ -2777,7 +2777,7 @@ subroutine i_H_j_single_spin_complex(key_i,key_j,Nint,spin,hij)
PROVIDE big_array_exchange_integrals_complex mo_two_e_integrals_in_map
call get_single_excitation_spin(key_i(1,spin),key_j(1,spin),exc,phase,Nint)
call get_single_excitation_from_fock(key_i,key_j,exc(1,1),exc(1,2),spin,phase,hij)
call get_single_excitation_from_fock_complex(key_i,key_j,exc(1,1),exc(1,2),spin,phase,hij)
end
subroutine i_H_j_double_spin_complex(key_i,key_j,Nint,hij)