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deal with reduced dof from frozen atoms

Status: Open.

#6 In pele-python/align;

· js850 opened on Sep 17, 2013

define a more general (and more clearly defined) permlist

Status: Open.

#5 In pele-python/align;

· js850 opened on Sep 11, 2013

function which defines permutations automatically molecules

Status: Open.

#4 In pele-python/align;

· js850 opened on Sep 11, 2013

have wrappers to work with lots of filetypes (xyz, pdb, etc)

Status: Open.

#3 In pele-python/align;

· js850 opened on Sep 11, 2013

symmetries (sysems) we want to be able to handle

Status: Open.

#2 In pele-python/align;

· js850 opened on Sep 11, 2013

notes

Status: Open.

#1 In pele-python/align;

· js850 opened on Sep 11, 2013