PyXtal-v.0.4.1

• Largely improved the get_transition function
• Fix some bugs with lattice generation/optimization

PyXtal-v.0.4.0

• Greatly simplified many symmetry functions
• Improved the supergroup function
• added the get_transition function to derive the transition between high-low symmetry structures

PyXtal-v0.3.9

• add UNI potentials to approximate the intermolecular energy
• fix the orientation bug #180
• improved the neighbor function

PyXtal-v0.3.8

• 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

PyXtal-v0.3.7

• Fix tolerance #166
• Fix the compatibility #170
• Add a function of WP.get_all_positions

PyXtal-v0.3.6

• Improve the symmetry function
• update the documentation

PyXtal-v0.3.5

• add some functions to parse csd/pubchem entries
• update PXRD function

PyXtal-v0.3.3

• Fix a lattice bug
• add get_1D_representation function

PyXta-v0.3.2

• Re-organized WP_merge and orientations_in_wp
• Fix a bug in find torsions
• Add a function to generate molecular conformers that are compatible with WP #160 .

PyXtal v0.3.1

• a slab representation to show the molecule in the xtal #151
• automatically added the missing H atoms from an expt. cif file #153
• Generate the mol.xtal from a building block #155