diff --git a/src/xc_integrator/xc_data/device/xc_device_data.hpp b/src/xc_integrator/xc_data/device/xc_device_data.hpp index 07b0694b..0b3d7603 100644 --- a/src/xc_integrator/xc_data/device/xc_device_data.hpp +++ b/src/xc_integrator/xc_data/device/xc_device_data.hpp @@ -83,13 +83,10 @@ struct required_term_storage { inline size_t grid_den_size(size_t npts){ // grid_den_size takes into account the size of the interleaved density sent to ExchCXX in the cases of UKS/GKS (hence the * 2) if( grid_den ) { - if( ref_tracker.den ) - return npts; - else if (ref_tracker.ks_scheme == RKS) - return npts; - else if (ref_tracker.ks_scheme == UKS) - return 2 * npts; + if( ref_tracker.ks_scheme == UKS) return 2 * npts; + else return npts; } + else return 0ul; } inline size_t grid_den_grad_size(size_t npts){ return PRDVL(grid_den_grad and ref_tracker.ks_scheme == RKS, 3 * npts)