PROGRAM SUMMARY
Title of program:
MMM2D
Catalogue identifier:
ADQM
Ref. in CPC:
148(2002)327
Distribution format: tar gzip file
Operating system: Linux, Compaq Tru64, AIX
Number of lines in distributed program, including test data, etc:
3101
Keywords:
Electrostatics, Coulomb interactions, Alternative to Ewald,
Planar surfaces, Slab geometry.
Programming language used: C
Computer:
IA32 ,
Alpha ,
IBM Power4 .
Nature of physical problem:
Fast computation of the Coulomb sum in slab geometries. Useful for
Molecular Dynamics or Monte Carlo simulations of surfaces or membranes
involving charges.
Method of solution:
Poisson's summation formula is used to obtain a rapidly converging
Fourier representation.
Restrictions:
The CPU time scales as N**5/3, where N is the number of charges, memory
usage scales as N.
Typical running time:
~N**5/3 0.01ms.
Unusual features:
None