SEAMM
2022.6.6
Why SEAMM?
User Experience
Productivity
Workflow Features
Installing SEAMM
Tutorials
Getting Started
Managing the Dashboard
Working with the Dashboard
Tables and Loops
Running from the Command-Line
Developers Documentation
A Home for Tools
Software Ecosystem
Graphical User Interface
Dashboard
Flowchart
Flowchart Interpreter
Job Manager
Job Datastore
Plug-ins
Handling Forcefields and Interatomic Potentials in SEAMM
Anatomy of a Forcefield Plug-in
Selecting a Forcefield
Atom Typing
Energy Expression
Using the Energy Expression
Tips and Tricks
Updating with Cookiecutter
Whitepapers
Systems: Molecules, Crystal, Fluids and all that
Overview of Forcefields
Functional Form
Parameters
Atom Types
Types of Forcefields
Glossary
Plug-ins
Building
Crystal Builder
PACKMOL
Set Cell
Solvate
Supercell
Control
Control Parameters
Loop
Data
Read Structure
Table
System
Simulations
DFTB+
LAMMPS
MOPAC
Psi4
Status
Building plug-ins
Control plug-ins
Custom plug-ins
Data plug-ins
Simulation plug-ins
Statistics
control-parameters-step
crystal-builder-step
custom-step
dftbplus-step
forcefield-step
from-smiles-step
lammps-step
loop-step
molsystem
mopac-step
packmol-step
psi4-step
pyxtal-step
rdkit-step
read-structure-step
reference-handler
seamm
seamm-datastore
seamm-ff-util
seamm-installer
seamm-jobserver
seamm-util
seamm-widgets
set-cell-step
supercell-step
table-step
SEAMM Developers
Acknowledgements
SEAMM
»
Plug-ins
»
Data
View page source
Data
These plug-ins provide functionality for handling data in the flowchart:
Read Structure
Table
System