A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
You can not select more than 25 topics Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.

6 lines
150 B

2 years ago
3
O 0.91293 -0.06432 0.03124
H 1.88081 -0.03273 0.06526
H 0.63408 0.56712 0.71130