MoleculeData and Map

Hi

I finnished the changes for propertyBase and so on...

Its merged with latest faunus and working.

I kept the *.topo naming since its still uses both moleculeMap and conmbinations for grandCanonical.
Indented, commented, new lines deleted.

Chemical potential is low because of uncharged particles and large box.

usage of chemPot and activity:
  activity is used by info() function
  chemPot is calculated from activity, it should really be chemPot but
rather ln(a)

Its purely for convenience


On Mon, Sep 8, 2014 at 1:21 AM, Lukáš Sukeník <sukeniklukas@gmail.com>
wrote:

> Hi
>
> Sorry, i kinda missed these messages, i dont check this email so often. I
> will take a look at it, document it, indentation...
>
> The activity is so low because I'm using uncharged particles.
>
> On Wed, Sep 3, 2014 at 7:10 PM, Mikael Lund <notifications@github.com>
> wrote:
>
>> In include/faunus/group.h:
>>
>> > @@ -169,6 +183,26 @@ namespace Faunus {
>> >            assert( find( sel.back()  ) );
>> >          }
>> >
>> > +      /**
>> > +        * @brief Get the i'th molecule in the group
>> > +        * @warning You must manually update the mass center of the returned group
>> > +        */
>> > +      Group getMolecule(int i) const {
>>
>> Please use 2 spaces for indentation
>>
>> —
>> Reply to this email directly or view it on GitHub
>> <https://github.com/mlund/faunus/pull/55/files#r17063919>.
>>
>
>