relax SVN archive

Another fix for the model-free calculate() method.

A fix for the model-free calculate() method for the interatomic data design.

Even more fixes for the reading of relax 1.2 results files for the interatomic data design.

Hopefully the last fix for the reading of relax 1.2 results files!

Fixes for the reading of relax 1.2 results files.

The new 'H' spin containers are now deselected, and the simulation structure creation has been
reverted.

Fix for the backward compatibility hook for MoleculeContainers - the H spin containers are deselected.

The Monte Carlo select_all_sims() function is now using the specific skip_function().

This is needed for recreating model-free simulations as deselected proton spin containers now exist.

Whitespace fix.

The relax 1.2 model-free results file reading no longer creates the spin 'attached_proton' variable.

The MoleculeContainer XML backwards compatibility hook now deletes the spin 'r_err' and 'r_sim' vars.