- Switch the travis support to GitHub - constrain the molecular center to the unit cell when exporting the structure to ASE/Pymatgen - add the reading force function to the gulp calculator.
0.0.9
- Improved the visualization of low-dimensional systems - Added working examples
0.0.8
- Improved the molecular orientation function - added an option to check the starting orientation of the molecule - added the GULP interfaces for simple atomic crystals
0.0.7
- Reorganize the molecular crystal functions - improve the speed of distance calculations (project_point, distance matrix)
0.0.6
- Added the visualization function for both molecular/atomic crystals - Added the function of lattice mutation and optimization - largely improved the generation of molecular crystal - fix the bug of generating molecular crystals occupying the special Wyckoff sites
0.0.5
- heavy reformats (separate tolerance, lattice, io classes) - allow the user to assign the desired Wyckoff list for atomic systems (suggested by Rhys Goodall) - largely improved the generation of molecular crystal - added a cif writer to molecular crystal - added the rotation/translation function to play with the molecular Wyckoff sites