MolSSI SEAMM
Simulation Environment for Atomistic and Molecular Modeling
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- thermochemistry_step Public
molssi-seamm/thermochemistry_step’s past year of commit activity - forcefield_step Public
A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.
molssi-seamm/forcefield_step’s past year of commit activity - diffusivity_step Public
A step in SEAMM for calculating diffusion coefficients from molecular dynamics
molssi-seamm/diffusivity_step’s past year of commit activity