search

MaginnGroup / Cassandra

Cassandra is a Monte Carlo package to conduct atomistic simulations.
https://cassandra.nd.edu/
GNU General Public License v3.0
41 stars 20 forks source link

No broken molecules in the input XYZ #118

Closed emarinri closed 2 years ago

emarinri commented 2 years ago

Documentation section

The description of the Start_Type section should be updated.

Description of the issue

It should be mentioned that the input coordinate file should contain molecules with no broken bonds.