ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
|
Classes | |
class | Interaction |
Subclass of Target for fitting force fields to interaction energies. More... | |
Functions | |
def | plot_interaction_qm_vs_mm (eqm, emm, title='') |
Variables | |
logger = getLogger(__name__) | |
def src.interaction.plot_interaction_qm_vs_mm | ( | eqm, | |
emm, | |||
title = '' |
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) |
Definition at line 246 of file interaction.py.
src.interaction.logger = getLogger(__name__) |
Definition at line 24 of file interaction.py.