v1.2.2

amcadmus released this 15 Sep 00:28

· 1818 commits to master since this release

New features:

fast gelu implementation
relax the restriction on the maximal number of neighbors to 4096
one-sided embedding net

Bug fixings:

check if the cell volume is positive.
bugs of dplr
loading coord when data has only one frame
ase calculator None-PBC system
details printing when testing on multiple systems.
bugs in transform

Assets 6