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Threshold in MO transformation

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Anthony Scemama 2016-01-02 22:04:24 +01:00
parent 1e15ebd70b
commit 97a966df04
1 changed files with 1 additions and 1 deletions
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src/Integrals_Bielec/mo_bi_integrals.irp.f
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@ -70,7 +70,7 @@ subroutine add_integrals_to_map(mask_ijkl)
integer :: i1,j1,k1,l1, ii1, kmax, thread_num
integer :: i2,i3,i4
double precision,parameter :: thr_coef = 0.d0
double precision,parameter :: thr_coef = 1.d-10
PROVIDE ao_bielec_integrals_in_map