Closed chrisjonesBSU closed 11 months ago
This PR lets us adjust the epsilon values from the forcefield on the fly using an e_factor parameter in the Simulation class. The epsilon values are adjusted directly in the hoomd.md.pair.LJ parameter dictionary.
e_factor
Simulation
hoomd.md.pair.LJ
Merging #105 (415e6f0) into master (2258c67) will increase coverage by 0.11%. The diff coverage is 100.00%.
0.11%
100.00%
LGTM
This PR lets us adjust the epsilon values from the forcefield on the fly using an
e_factor
parameter in theSimulation
class. The epsilon values are adjusted directly in thehoomd.md.pair.LJ
parameter dictionary.