search

bigd4 / PyNEP

A python interface of NEP
MIT License
43 stars 17 forks source link

Update io.py #18

Closed Kick-H closed 1 year ago

Kick-H commented 1 year ago

Added a function to distinguish whether to include virial when outputting xyz format.

Kick-H commented 1 year ago

Lines 59 and 131 should not be modified. I don't know the function of github.