search

SENPAI-Molecular-Dynamics / SENPAI

Molecular dynamics simulation software
https://senpaimd.org
GNU General Public License v3.0
125 stars 16 forks source link

Potential is fucky #1

Closed Chelsea486MHz closed 5 years ago

Chelsea486MHz commented 5 years ago

The potential evalutation functions are wrong and the numerical differentiation mode cannot be used.

Chelsea486MHz commented 5 years ago

Issue narrowed down - all potential functions are OK, except for pontential_angle which doesn't properly evaluate the potential resulting from bond angles.

JuhaJGamer commented 4 years ago

uwu potential fucky wucky