eljost/pysisyphus: Robustness fixes

Addition Linesearch in min and max subspaces for RSPRFO (disabled be default). Use min_line_search: True, max_line_search: True to enable it AFIR enhancments: Support for arbitrary number of fragments Different rhos (push/pull) and gammas can now be specified for every fragment pair Hydrogens are ignored by default. Use ignore_hydrogen: False to enable AFIR forces on hydrogens pysistrj [input] --topdb converts geometries to PDB with automated fragment detection quiet mode for XTB calculator (prevents creation of log files etc.) Enabled minimum dynamic path from YAML input (still undocumented, see `examples/mdp/01_trispericyclic) run_tsopt_from_cos now supports coord_type: cart|dlc (default dlc) Basic test suite that ships with a pysisyphus installation (execut with pytest --pyargs pysisyphus.tests -v) Enabled QCEngine calculator from YAML input On-the-fly internal coordinate rebuilding for GrowingString After endopt not only RMSDs are compared, but also bond matrices, making it easier to judge if a COS/TSOpt/IRC/EndOpt run was successful Basic Dalton calculator using daltonproject (energies & gradient) MO re-normalization for TDEN overlaps when AO overlaps are reconstructed from MO coefficients (disabled by default, use mo_renorm: True) Ability to select which set of MO coefficients (reference/current) is used to recover AO overlaps (default cur, use mos_ref: cur|ref) Bugfixes Nix build of wfoverlap failed Disabled Eckart projection in hessian saving of analytical potentials Orthogonal direction for LinearBend and LinearDisplacement is now kept throughout the lifetime of the coordinate Allow pysis [yaml] --cp [dest] to be run outside the dir [yaml] resides in Dihedral generation in situations with 4 collinear atoms Generation of 3N-6 DLCs is now enforced More reasonable threshold for inverting WIlson B-matrix (1e-7 for eigenvalues of G matrix, corresponding to 3.16e-4 for singular values) Miscellaneous No more "hand-coded" constants, now the scipy.constants package is used Double damping is now enabled by default in StringOptimizer (double_damp: true