LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 04:43:50 +01:00
Code Issues Releases Wiki Activity

Threshold in MO transformation

Browse Source
This commit is contained in:
Anthony Scemama 2016-01-02 22:04:24 +01:00
parent 1e15ebd70b
commit 97a966df04
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
src/Integrals_Bielec/mo_bi_integrals.irp.f
View File

@ -70,7 +70,7 @@ subroutine add_integrals_to_map(mask_ijkl)
integer :: i1,j1,k1,l1, ii1, kmax, thread_num integer :: i1,j1,k1,l1, ii1, kmax, thread_num
integer :: i2,i3,i4 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 PROVIDE ao_bielec_integrals_in_map