# Large-Scale MD for Coulomb Forces

Dear Friends,
Several people that responded to my request for an implementation of the
Greengard-Rokhlin algorithm expressed great interest in the possibility of
a FAST algorithm for doing the Coulomb calculations in MD simulation of
atomic systems. In response to two requests for more detailed descriptions of
the algorithm, I note the following:
1. "A Fast Algorithm for Particle Simulations", L. Greengard and V.
Rokhlin, J.
Comp. Physics, {\bf 73}, 325 (1987)
2. "Vectorization of a Tree Code", J. Makino, J. Comp. Physics, {\bf
87}, 148
(1990)
3. J. Barnes and P. Hut, Nature, {\bf 324}, 446 (1986)
The #2 article above discusses the possibility of an efficient vector code
for this task. I still don't know of any implementation of this kind (but
promise to pass that knowledge on if I receive it.)
Best Wishes,
Jim Given
in%"given -AatT-
sbchm1.chem.sunysb.edu"