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                                            Jeongnim Kim

Update fft3d.cpp: add timer and FFT3D GFLOPS

Added timer and GFLOPS for the stand-alone binary for performance analysis.

Provide fast splint in OneDimCubicSpline for PBC Coulomb Potentials

Since commit 1bc275373377871b921de37a661ac98ad5197340, splint calls in evaluateSR in PBC Coulomb potentials use cubic spline interpolation. This leads a substantial slowdown, 6% of NiO-a512 calculations, on SPR on Aurora. diff --git...