You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Describe the behavior you would like added to Foyer
Now that we're improving our coverage of OPLS (#319, #320 just to name a few), some bulk simulations of these molecules should be run to validate their properties.
Describe the solution you'd like @Argon1999 has agreed to run some bulk simulations of these molecules and run some simple analyses like RDFs and MSD.
Describe alternatives you've considered
A clear and concise description of any alternative solutions or features you've considered.
Additional context
Add any other context or screenshots about the feature request here.
The text was updated successfully, but these errors were encountered:
Describe the behavior you would like added to Foyer
Now that we're improving our coverage of OPLS (#319, #320 just to name a few), some bulk simulations of these molecules should be run to validate their properties.
Describe the solution you'd like
@Argon1999 has agreed to run some bulk simulations of these molecules and run some simple analyses like RDFs and MSD.
Describe alternatives you've considered
A clear and concise description of any alternative solutions or features you've considered.
Additional context
Add any other context or screenshots about the feature request here.
The text was updated successfully, but these errors were encountered: