A SEAMM plug-in for building supercells of periodic systems.
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Updated
Nov 5, 2023 - Python
A SEAMM plug-in for building supercells of periodic systems.
A SEAMM plug-in for setting the periodic (unit) cell.
A SEAMM plug-in for building crystals from prototypes.
A step in the workflow for custom Python code
Web pages for SEAMM
A SEAMM plug-in for data tables in a flowchart.
The JobServer for the SEAMM environment.
Read and write forcefields, assigns them to molecules, and create energy expressions.
A SEAMM plug-in to read and write common formats in computational chemistry
A SEAMM plug-in for creating structures from a SMILES string.
A step for working with the molecular/crystal system in SEAMM
A plug-in for control parameters, e.g. command line arguments, for SEAMM
A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.
A SEAMM plug-in which provides loops in flowcharts.
A SEAMM plug-in for building periodic boxes of fluid using Packmol
Utility classes and functions that support other MolSSI tools
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.
A plug-in for DFTB+ in a SEAMM flowchart
Custom widgets to support the MolSSI Framework
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