PyXtal v0.4.6

enable customized site to mol.xtal (#197)

PyXtal v0.4.5

• Support the build of random crystal with partials atomic sites information #191

PyXtal v0.4.4

• Fix the bug in get_transition
• Provide the option of both ways for get_transition
• lift the Numba constraint
• debugged to subgroup function

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