Functional-sampling-tool

- Change in behaviour: Wrapping can be done without unwrapping
- New feature: Added precentering cordinates with a single atom before unwrapping
- Updated requirements: NetworkX is no longer optional and is installed automatically

- BIG CHANGE: clustering will be done if at least epochs_pre_clust epochs have been run (used to be strictly more than)
- bugfix: current_dir behaviour fixed when the function changed, but xtc was not reread.

- Command line options now use dashes instead of underscores as spaces
- Changed the way multiple starting structures are handled. Now they can be given as a list in config.
- Bugfix: The templates folder was not being installed properly
- Clustering figures improved: title includes fval range and the chosen clusters will be shown. The changes in aic and bic are no longer plotted.
- The copied configs include the default values at the end. The "prelog" part also includes the command line call.
- The rng seed can be given in config
- Maximum number of grompp-processes is halved and can be changed with a command line option
- Added option to print version
- The returned function values are checked to make sure they have a correct dimensionality

- This version was skipped due to human error

- fval and cluster coordinates are saved to data npz archive as a whole, and the ignoring
from start and stride are only applied after reading. This means the archive files made with
v0.0.1 must be reloaded.
Before this change the extraction was broken when the starting frame or stride were not the defaults.
- beginning and stride in extraction are taken from config by default.
- max height for choices can be given in config