Skip to content

优化

潘书宁 requested to merge github/fork/psn417/master into master

Created by: psn417

默认情况下计算描述符之前会先算一遍能量,这个过程里已经把描述符算了一遍,有重复。 加了一个方法单独算描述符get_descriptor(atoms)

Merge request reports

Loading