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Bug seems fixed in casscf ... ?

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This commit is contained in:
Emmanuel Giner 2020-03-25 16:13:26 +01:00
parent 8f7e7ff264
commit f51aa26d2b
1 changed files with 1 additions and 4 deletions
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src/casscf/densities.irp.f
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@ -49,13 +49,10 @@ BEGIN_PROVIDER [real*8, P0tuvx, (n_act_orb,n_act_orb,n_act_orb,n_act_orb) ]
P0tuvx= 0.d0 P0tuvx= 0.d0
do istate=1,N_states do istate=1,N_states
do x = 1, n_act_orb do x = 1, n_act_orb
xx = list_act(x)
do v = 1, n_act_orb do v = 1, n_act_orb
vv = list_act(v)
do u = 1, n_act_orb do u = 1, n_act_orb
uu = list_act(u)
do t = 1, n_act_orb 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) P0tuvx(t,u,v,x) = state_av_act_2_rdm_spin_trace_mo(t,v,u,x)
enddo enddo
enddo enddo