molssi-seamm
There are 2 repositories under molssi-seamm topic.
molssi-seamm / seamm
The core of the SEAMM environment and graphical interface.
Language:Python 12Molsystem provides a general class for handling molecular and periodic systems
Language:Python 3A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4.
Language:Python 3A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.
Language:Python 2A cookiecutter template for a plugin for SEAMM Flowcharts
Language:Python 2Custom widgets to support the MolSSI Framework
Language:Python 2A plug-in for DFTB+ in a SEAMM flowchart
Language:Python 1A SEAMM plug-in which provides loops in flowcharts.
Language:Python 1A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.
Language:Python 1A SEAMM plug-in for building periodic boxes of fluid using Packmol
Language:Python 1Utility classes and functions that support other MolSSI tools
Language:Python 1A plug-in for control parameters, e.g. command line arguments, for SEAMM
Language:PythonA SEAMM plug-in for building crystals from prototypes.
Language:TeXA step in the workflow for custom Python code
Language:PythonA SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.
Language:PythonA SEAMM plug-in for creating structures from a SMILES string.
Language:PythonWeb pages for SEAMM
Language:MakefileA SEAMM plug-in to read and write common formats in computational chemistry
Language:PythonRead and write forcefields, assigns them to molecules, and create energy expressions.
Language:PythonThe JobServer for the SEAMM environment.
Language:PythonA SEAMM plug-in for setting the periodic (unit) cell.
Language:Python- Language:Python
A SEAMM plug-in for building supercells of periodic systems.
Language:PythonA step for working with the molecular/crystal system in SEAMM
Language:PythonA SEAMM plug-in for data tables in a flowchart.
Language:Python