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Trying to optimize pt2:

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Anthony Scemama 2018-06-18 09:36:41 +02:00
parent 6d05caffd5
commit f1be78d1a8
1 changed files with 1 additions and 1 deletions
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plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
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@ -570,7 +570,7 @@ END_PROVIDER
comb_step = 1d0/dfloat(comb_teeth) comb_step = 1d0/dfloat(comb_teeth)
first_det_of_comb = 1 first_det_of_comb = 1
do i=1,N_det_generators do i=1,N_det_generators
if(pt2_weight(i)/norm_left < .25d0*comb_step) then if(pt2_weight(i)/norm_left < .5d0*comb_step) then
first_det_of_comb = i first_det_of_comb = i
exit exit
end if end if