Adapt frozen potential and wrapping to 2d / 3d handling

bdim is the box dimensions, I'll add some documentation as soon as I get
out of the cpgs black hole.

Stefano
On 23 Jun 2014 16:47, "Jacob Stevenson" <notifications@github.com> wrote:

> In source/pele/lowest_eig_potential.h:
>
> > +
> > +namespace pele {
> > +
> > +class Orthogonalize{
> > +public:
> > +    virtual ~Orthogonalize(){};
> > +    virtual void orthogonalize(Array<double>& coords, Array<double>& vector)=0;
> > +};
> > +
> > +class OrthogonalizeTranslational : public Orthogonalize{
> > +protected:
> > +    std::vector<pele::Array<double>> _tr_evec;
> > +    size_t _natoms, _bdim, _ndim;
> > +    double _d, _tol;
> > +public:
> > +    OrthogonalizeTranslational(size_t natoms, size_t bdim, double tol=1e-6);
>
> some documentation about what the input variables mean would be nice. e.g.
> what is bdim?
>
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> <https://github.com/pele-python/pele/pull/36/files#r14082071>.
>