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3 changes: 3 additions & 0 deletions src/xc_integrator/xc_data/device/xc_device_data.hpp
Original file line number Diff line number Diff line change
Expand Up @@ -347,18 +347,21 @@ struct required_term_storage {
if( ref_tracker.ks_scheme == RKS ) return npts;
if( ref_tracker.ks_scheme == UKS or ref_tracker.ks_scheme == GKS ) return 2*npts;
}
return 0ul;
}
inline size_t grid_FXC_B_size(size_t npts){
if( grid_FXC_B ) {
if( ref_tracker.ks_scheme == RKS ) return 3*npts;
if( ref_tracker.ks_scheme == UKS or ref_tracker.ks_scheme == GKS ) return 6*npts;
}
return 0ul;
}
inline size_t grid_FXC_C_size(size_t npts){
if( grid_FXC_C ) {
if( ref_tracker.ks_scheme == RKS ) return npts;
if( ref_tracker.ks_scheme == UKS or ref_tracker.ks_scheme == GKS ) return 2*npts;
}
return 0ul;
}


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