A SEAMM plug-in which provides loops in flowcharts.
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Updated
Oct 15, 2024 - Python
A SEAMM plug-in which provides loops in flowcharts.
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.
A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4.
The core of the SEAMM environment and graphical interface.
Custom widgets to support the MolSSI Framework
Molsystem provides a general class for handling molecular and periodic systems
MolSSI Container Hub for Computational Molecular Science
A SEAMM plug-in to read and write common formats in computational chemistry
A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.
Utility classes and functions that support other MolSSI tools
A plug-in for DFTB+ in a SEAMM flowchart
A SEAMM plug-in for building periodic boxes of fluid using Packmol
A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.
Read and write forcefields, assigns them to molecules, and create energy expressions.
Web pages for SEAMM
The JobServer for the SEAMM environment.
A step in the workflow for custom Python code
A plug-in for control parameters, e.g. command line arguments, for SEAMM
A SEAMM plug-in for data tables in a flowchart.
A SEAMM plug-in for creating structures from a SMILES string.
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