We present a Fortran program to compute the distribution of dipole moments of free particles for use in analyzing molecular beams experiments that measure moments by deflection in...
G. E. Ballentine, G. F. Bertsch, N. Onishi, K. Yab...
We present wannier90, a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with othe...
Arash A. Mostofi, Jonathan R. Yates, Young-Su Lee,...
: In recent years, as a knowledge-based discipline, bioinformatics has moved to make its knowledge more computationally amenable. After its beginnings in the disciplines as a techn...
The Linux cluster considered in this paper, formed from shuttle box XPC nodes with 2 GHz Athlon processors connected by dual Gb Ethernet switches, is relatively easily constructed...
David J. Johnston, Martin Fleury, Michael Lincoln,...
A modification of the standard Simulated Annealing (SA) algorithm is presented for finding the global minimum of a continuous multidimensional, multimodal function. We report resu...