Scalable and portable implementation of the fast multipole method on parallel computers
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Abstract
A scalable and portable Fortran code is developed to calculate Coulomb interaction potentials of charged particles on parallel computers, based on the fast multipole method. The code has a unique feature to calculate microscopic stress tensors due to the Coulomb interactions, which is useful in constant-pressure simulations and local stress analyses. The code is applicable to various boundary conditions, including periodic boundary conditions in two and three dimensions, corresponding to slab...
Title of program: FMMP
Catalogue Id: ADRX_v1_0
Nature of problem
Parallel computations of Coulomb potentials, forces, and stress tensors for a collection of charged particles.
Versions of this program held in the CPC repository in Mendeley Data
ADRX_v1_0; FMMP; 10.1016/S0010-4655(03)00246-7
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2019-11-11
