From 54a1487abb3d1004aa65d1c1210212ca2a0301fa Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 21 May 2015 11:41:10 +0200 Subject: [PATCH] Travis didn't compile --- src/DensityFit/aux_basis.irp.f | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/src/DensityFit/aux_basis.irp.f b/src/DensityFit/aux_basis.irp.f index 7ca51aa7..009c59cf 100644 --- a/src/DensityFit/aux_basis.irp.f +++ b/src/DensityFit/aux_basis.irp.f @@ -8,8 +8,8 @@ integer :: align_double if (do_pseudo) then - aux_basis_num_sqrt = ao_num + ao_pseudo_num -! aux_basis_num_sqrt = ao_num +! aux_basis_num_sqrt = ao_num + ao_pseudo_num + aux_basis_num_sqrt = ao_num else endif @@ -55,13 +55,13 @@ END_PROVIDER aux_basis_power(i,1:3) = ao_power(i,1:3) enddo - do j=1,ao_pseudo_num - aux_basis_expo_transp(1,ao_num+j) = 0.5d0*pseudo_ao_expo(j) - aux_basis_coef_transp(1,ao_num+j) = 1.d0 - aux_basis_power(ao_num+j,1:3) = 0 - aux_basis_prim_num(ao_num+j) = 1 - aux_basis_nucl(ao_num+j) = pseudo_ao_nucl(j) - enddo +! do j=1,ao_pseudo_num +! aux_basis_expo_transp(1,ao_num+j) = 0.5d0*pseudo_ao_expo(j) +! aux_basis_coef_transp(1,ao_num+j) = 1.d0 +! aux_basis_power(ao_num+j,1:3) = 0 +! aux_basis_prim_num(ao_num+j) = 1 +! aux_basis_nucl(ao_num+j) = pseudo_ao_nucl(j) +! enddo END_PROVIDER