SPaiNN
Get Started
Installation
Excited State Dynamics
User Guide
Main Tasks and Overview
Data pipeline
Models
Interface between SchNetPack and SHARC
Tutorials
SPaiNN Workflow Example
SPaiNN
spainn.properties
The SPAINN class
Attributes for Properties
properties.SPAINN.energy
SPAINN.energy
properties.SPAINN.forces
properties.SPAINN.nacs
properties.SPAINN.smooth_nacs
properties.SPAINN.dipoles
properties.SPAINN.socs
Statistics for Properties
spainn.multidatamodule
spainn.asetools
spainn.model
spainn.loss
spainn.metric
spainn.calculator
spainn.plotting
spainn.interface
spainn.cli
SPaiNN
spainn.properties
properties.SPAINN.energy
View page source
properties.SPAINN.energy
SPAINN.
energy
:
Final
[
str
]
=
'energy'
label of energies