LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 11:03:29 +01:00
Code Releases Activity

Merge pull request #203 from Ydrnan/qp2_dev

Browse Source 
another useless bitstring_to_list
This commit is contained in:
Anthony Scemama 2022-05-13 09:22:27 +02:00 committed by GitHub
commit c64e92de45
No known key found for this signature in database
GPG Key ID: 4AEE18F83AFDEB23
1 changed files with 0 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
src/determinants/slater_rules_wee_mono.irp.f
View File

@ -282,9 +282,7 @@ subroutine i_H_j_two_e(key_i,key_j,Nint,hij)
double precision :: get_two_e_integral
integer :: m,n,p,q
integer :: i,j,k
integer :: occ(Nint*bit_kind_size,2)
double precision :: diag_H_mat_elem, phase,phase_2
integer :: n_occ_ab(2)
PROVIDE mo_two_e_integrals_in_map mo_integrals_map big_array_exchange_integrals ref_bitmask_two_e_energy
ASSERT (Nint > 0)
@ -342,7 +340,6 @@ subroutine i_H_j_two_e(key_i,key_j,Nint,hij)
case (1)
call get_single_excitation(key_i,key_j,exc,phase,Nint)
!DIR$ FORCEINLINE
call bitstring_to_list_ab(key_i, occ, n_occ_ab, Nint)
if (exc(0,1,1) == 1) then
! Mono alpha
m = exc(1,1,1)