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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-12 14:43:29 +01:00

Bug seems fixed in casscf ... ?

This commit is contained in:
Emmanuel Giner 2020-03-25 16:13:26 +01:00
parent 8f7e7ff264
commit f51aa26d2b

View File

@ -49,13 +49,10 @@ BEGIN_PROVIDER [real*8, P0tuvx, (n_act_orb,n_act_orb,n_act_orb,n_act_orb) ]
P0tuvx= 0.d0
do istate=1,N_states
do x = 1, n_act_orb
xx = list_act(x)
do v = 1, n_act_orb
vv = list_act(v)
do u = 1, n_act_orb
uu = list_act(u)
do t = 1, n_act_orb
tt = list_act(t)
! 1 1 2 2 1 2 1 2
P0tuvx(t,u,v,x) = state_av_act_2_rdm_spin_trace_mo(t,v,u,x)
enddo
enddo