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Bug in pt2 stoch

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Anthony Scemama 2017-04-12 15:32:02 +02:00
parent ae7b7024de
commit 4103b1d3e1
1 changed files with 1 additions and 0 deletions
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plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
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@ -523,6 +523,7 @@ end subroutine
norm_left = 1d0 norm_left = 1d0
comb_step = 1d0/dfloat(comb_teeth) comb_step = 1d0/dfloat(comb_teeth)
first_det_of_comb = 1
do i=1,N_det_generators do i=1,N_det_generators
if(pt2_weight(i)/norm_left < comb_step*.5d0) then if(pt2_weight(i)/norm_left < comb_step*.5d0) then
first_det_of_comb = i first_det_of_comb = i