sfogerty

Efficient memory use in FFTs

3

Simple improvements to memory use in the Cabana FFT implementation could have an outsize impact on performance. 1) Get rid of the data copies. Instead of converting between various types...

[WIP] Adding Ewald+SPME longrange force solvers

4

Creating a new longrange force class, derived from the Force class. Both Ewald and smooth particle mesh Ewald (SPME) are included - note that the Ewald Sum does not use...