24 projects
seamm-jobserver
seamm_jobserver
table-step
table_step
supercell-step
supercell_step
read-structure-step
read_structure_step
set-cell-step
set_cell_step
molsystem
molsystem
psi4-step
psi4_step
packmol-step
packmol_step
mopac-step
mopac_step
loop-step
['loop_step', 'A step in SEAMM Flowchart for loopss', '']
lammps-step
lammps_step
crystal-builder-step
crystal_builder_step
from-smiles-step
['from_smiles_step', 'A step in SEAMM Flowchart to create a structure from a SMILES string', '']
forcefield-step
Step to setup the forcefield in a SEAMM flowchart
control-parameters-step
control_parameters_step
custom-step
['custom_step', 'A step in a SEAMM flowchart for custom Python scripts.', '']
seamm-ff-util
seamm_ff_util
seamm
seamm
seamm-widgets
seamm_widgets
seamm-util
seamm_util
dftbplus-step
dftbplus_step
solvate-step
solvate_step
reference-handler
cassandra-step
Cassandra is a Monte Carlo molecular simulation package.