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Bug in random number

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This commit is contained in:
Anthony Scemama 2016-11-16 22:08:43 +01:00
parent 3407b6df85
commit 816abadda8
2 changed files with 7 additions and 1 deletions
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1
src/Davidson/diagonalization_hs2.irp.f
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@ -187,6 +187,7 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,S2_jj,energies,dim_in,sze,N_s
do k=N_st+1,N_st_diag
do i=1,sze
call random_number(r1)
call random_number(r2)
r1 = dsqrt(-2.d0*dlog(r1))
r2 = dtwo_pi*r2
u_in(i,k) = r1*dcos(r2)

7
src/Utils/LinearAlgebra.irp.f
View File

@ -469,7 +469,12 @@ subroutine lapack_diag(eigvalues,eigvectors,H,nmax,n)
print *, irp_here, ': DSYEV: the ',-info,'-th argument had an illegal value'
stop 2
else if( info > 0 ) then
write(*,*)'DSYEV Failed'
write(*,*)'DSYEV Failed : ', info
do i=1,n
do j=1,n
print *, H(i,j)
enddo
enddo
stop 1
end if