LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-24 13:23:41 +01:00
Code Issues Releases Wiki Activity

removed test for phase_mask_bit

Browse Source
This commit is contained in:
Yann Garniron 2018-08-28 10:24:38 +02:00
parent 3abccca5e3
commit 4b9b54e19a
1 changed files with 4 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

8
src/Determinants/slater_rules.irp.f
View File

@ -436,10 +436,10 @@ subroutine get_double_excitation(det1,det2,exc,phase,Nint)
enddo enddo
phase = phase_dble(iand(nperm,1)) phase = phase_dble(iand(nperm,1))
call get_double_excitation_ref(det1,det2,exc,refaz,Nint) !call get_double_excitation_ref(det1,det2,exc,refaz,Nint)
if(phase /= refaz) then !if(phase == refaz) then
print *, "phase", phase, refaz, n, exc(0,1,1) ! print *, "phase", phase, refaz, n, exc(0,1,1)
end if !end if
end end
subroutine get_mono_excitation(det1,det2,exc,phase,Nint) subroutine get_mono_excitation(det1,det2,exc,phase,Nint)