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Fixed type conversions
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@ -389,13 +389,13 @@ BEGIN_PROVIDER [ complex*16, ao_integrals_cache_periodic, (0:64*64*64*64) ]
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if (idx_re /= idx_im) then
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call map_get(ao_integrals_map,idx_im,tmp_im)
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if (idx1 < idx2) then
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integral = cmplx(tmp_re,tmp_im)
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integral = dcmplx(tmp_re,tmp_im)
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else
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integral = cmplx(tmp_re,-tmp_im)
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integral = dcmplx(tmp_re,-tmp_im)
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endif
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else
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tmp_im = 0.d0
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integral = cmplx(tmp_re,tmp_im)
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integral = dcmplx(tmp_re,tmp_im)
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endif
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ii = l-ao_integrals_cache_min
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@ -448,13 +448,13 @@ complex*16 function get_ao_two_e_integral_periodic(i,j,k,l,map) result(result)
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if (idx_re /= idx_im) then
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call map_get(ao_integrals_map,idx_im,tmp_im)
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if (idx1 < idx2) then
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tmp = cmplx(tmp_re,tmp_im)
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tmp = dcmplx(tmp_re,tmp_im)
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else
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tmp = cmplx(tmp_re,-tmp_im)
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tmp = dcmplx(tmp_re,-tmp_im)
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endif
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else
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tmp_im = 0.d0
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tmp = cmplx(tmp_re,tmp_im)
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tmp = dcmplx(tmp_re,tmp_im)
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endif
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else
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ii = l-ao_integrals_cache_min
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@ -609,9 +609,9 @@ subroutine lapack_diagd_complex(eigvalues,eigvectors,H,nmax,n)
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print *, irp_here, ': ZHEEVD: the ',-info,'-th argument had an illegal value'
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stop 2
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endif
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lwork = int( work( 1 ) )
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lwork = max(int( work( 1 ) ),lwork)
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liwork = iwork(1)
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lrwork = rwork(1)
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lrwork = max(int(rwork(1),4),lrwork)
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deallocate (work,iwork,rwork)
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allocate (work(lwork),iwork(liwork),rwork(lrwork))
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