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minor assert fixed

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eginer 2022-10-22 19:51:56 +02:00
parent aa55f7de28
commit b01b7d4d55
3 changed files with 4 additions and 2 deletions
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2
src/ao_many_one_e_ints/ao_gaus_gauss.irp.f
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@ -170,7 +170,7 @@ double precision function overlap_gauss_r12_ao_with1s(B_center, beta, D_center,
double precision, external :: overlap_gauss_r12, overlap_gauss_r12_ao
ASSERT(beta .gt. 0.d0)
ASSERT(beta .ge. 0.d0)
if(beta .lt. 1d-10) then
overlap_gauss_r12_ao_with1s = overlap_gauss_r12_ao(D_center, delta, i, j)
return

3
src/tc_keywords/j1b_pen.irp.f
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@ -47,10 +47,11 @@ BEGIN_PROVIDER [ double precision, j1b_pen, (nucl_num) ]
integer :: i
do i = 1, nucl_num
j1b_pen(i) = 1d5
j1b_pen(i) = 1.d0
enddo
endif
print*,'j1b_pen = ',j1b_pen
END_PROVIDER

1
src/tc_keywords/tc_keywords.irp.f
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@ -4,4 +4,5 @@ program tc_keywords
! TODO : Put the documentation of the program here
END_DOC
print *, 'Hello world'
provide j1b_pen
end