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Using 50 comb teeth in pt2 stoch

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This commit is contained in:
Anthony Scemama 2017-05-05 16:11:11 +02:00
parent f9b9b9a876
commit 172d38a04e
1 changed files with 2 additions and 2 deletions
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plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
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@ -331,7 +331,7 @@ end function
BEGIN_PROVIDER [ integer, comb_teeth ] BEGIN_PROVIDER [ integer, comb_teeth ]
implicit none implicit none
comb_teeth = 200 comb_teeth = 50
END_PROVIDER END_PROVIDER
@ -543,7 +543,7 @@ end subroutine
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 < comb_step) then if(pt2_weight(i)/norm_left < 2.*comb_step) then
first_det_of_comb = i first_det_of_comb = i
exit exit
end if end if