- add UNI potentials to approximate the intermolecular energy - fix the orientation bug 180 - improved the neighbor function
0.3.8
- add the get_neighboring_molecules function 169 - add the build crystal function 172 - add the from_CSD function 174 - cleanup the mol_site.check distance function
0.3.7
- Fix tolerance 166 - Fix the compatibility 170 - Add a function of WP.get_all_positions
0.3.6
- Improve the symmetry function - update the documentation
0.3.5
- add some functions to parse csd/pubchem entries - update PXRD function
0.3.3
- Fix a lattice bug - add get_1D_representation function