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seamm_packaging
Publicseamm_widgets
PublicCustom widgets to support the MolSSI Frameworkgaussian_step
Publicpsi4_step
PublicA SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4.molsystem
PublicMolsystem provides a general class for handling molecular and periodic systemsread_structure_step
PublicA SEAMM plug-in to read and write common formats in computational chemistryloop_step
PublicA SEAMM plug-in which provides loops in flowcharts.lammps_step
PublicA SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.seamm_util
PublicUtility classes and functions that support other MolSSI toolsmopac_step
PublicA SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.seamm
PublicThe core of the SEAMM environment and graphical interface.reaction_path_step
Publicseamm_ase
Publicseamm_exec
Publicstructure_step
Publicdiffusivity_step
Publicfhi_aims_step
Publicdftbplus_step
PublicA plug-in for DFTB+ in a SEAMM flowchartpackmol_step
PublicA SEAMM plug-in for building periodic boxes of fluid using Packmolforcefield_step
PublicA SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.seamm_ff_util
PublicRead and write forcefields, assigns them to molecules, and create energy expressions.devops
Publicseamm_dashboard_client
Publicthermal_conductivity
Publicseamm_dashboard
PublicThis is a web dashboard to be used with MolSSI's [Simulation Environment for Atomistic and Molecular Modeling](https://molssi-seamm.github.io) (SEAMM). This dashboard will allow users to view results of their calculations (jobs), keep track of their simulation procedures (flowcharts), and group their jobs into projects.seamm_datastore
Publicenergy_scan_step
Publicmolssi-seamm.github.io
PublicWeb pages for SEAMMtorchani_step
Publicquickmin_step
Public