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Anthony Scemama 2018-09-30 22:40:34 +02:00
parent 554664f8bb
commit 4994e096cd
1 changed files with 1 additions and 1 deletions
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plugins/dress_zmq/dress_stoch_routines.irp.f
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@ -17,7 +17,7 @@ END_PROVIDER
e = elec_num - n_core_orb * 2
pt2_n_tasks_max = 1 + min((e*(e-1))/2, int(dsqrt(dble(N_det_generators)))/10)
do i=1,N_det_generators
if (maxval(dabs(psi_coef_sorted_gen(i,1:N_states))) > 0.001d0) then
if (maxval(dabs(psi_coef_sorted_gen(i,1:N_states))) > 0.01d0) then
pt2_F(i) = pt2_n_tasks_max
else
pt2_F(i) = 1