Mercurial > hg > camir-aes2014

annotate toolboxes/FullBNT-1.0.7/bnt/potentials/@scgpot/scgpot.m @ 0:e9a9cd732c1e tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
first hg version after svn
author wolffd
date Tue, 10 Feb 2015 15:05:51 +0000
parents
children
rev   line source
wolffd@0 1 function pot = scgpot(ddom, cheaddom, ctaildom, node_sizes, scgpotc)
wolffd@0 2 % SCGPOT Make a stable CG potential.
wolffd@0 3 % pot = scgpot(ddom, cheaddom, ctaildom, node_sizes, scgpotc)
wolffd@0 4 %
wolffd@0 5 % ddom is discrete nodes contains in the potential
wolffd@0 6 % cheaddom is head nodes constains in the potential
wolffd@0 7 % ctaildom is tail nodes contains in the potential
wolffd@0 8 % node_sizes(i) is the size of the i'th node.
wolffd@0 9 % scgpotc is list of scgcpot objects.
wolffd@0 10
wolffd@0 11 pot.ddom = ddom;
wolffd@0 12 pot.cheaddom = cheaddom;
wolffd@0 13 pot.ctaildom = ctaildom;
wolffd@0 14 pot.domain = myunion(ddom, myunion(cheaddom, ctaildom));
wolffd@0 15 pot.dsizes = node_sizes(pot.ddom);
wolffd@0 16 pot.dsize = prod(node_sizes(pot.ddom));
wolffd@0 17 pot.cheadsizes = node_sizes(pot.cheaddom);
wolffd@0 18 pot.cheadsize = sum(node_sizes(pot.cheaddom));
wolffd@0 19 pot.ctailsizes = node_sizes(pot.ctaildom);
wolffd@0 20 pot.ctailsize = sum(node_sizes(pot.ctaildom));
wolffd@0 21
wolffd@0 22 if nargin < 5
wolffd@0 23 scgpotc = cell(1, pot.dsize);
wolffd@0 24 for i=1:pot.dsize
wolffd@0 25 scgpotc{i} = scgcpot(pot.cheadsize, pot.ctailsize);
wolffd@0 26 end
wolffd@0 27 end
wolffd@0 28 pot.scgpotc = scgpotc;
wolffd@0 29
wolffd@0 30 pot = class(pot, 'scgpot');