How-to guides# This section contains guides on how to use D3 for your applications. How to use this library? Compute energy with rational damping Disable selected atoms with ghost indices How to run periodic calculations? Remove the truncation error with reciprocal space summation Choose how the reciprocal sum is evaluated Smooth the real space cutoff Truncate the real space sum How to distribute a calculation over MPI ranks? Partition the interaction loops Let D3 do the reduction Partition the coordination number Periodic systems: cutoffs and summation accuracy Truncation error of the real space sum Choosing a cutoff for a target accuracy Reciprocal space summation Particle mesh evaluation Suggesting references for D3 dispersion corrections