PyXtal-v1.0.5

qzhu2017 released this 03 Nov 01:54

· 225 commits to master since this release

95ee675

add cut_lattice function #291
enable HTOCSP ff-opt mode
add pre_opt flag to HTOCSP
enable discrete representation in atomic crystal
add ase_opt to the interface (for the calling of ANI and MACE)

Assets 2