LICENSE
MANIFEST.in
README.md
pyproject.toml
configs/ch3_density.yaml
configs/ch3_grid.yaml
configs/ch3_onesided.yaml
configs/example-patterns/dense-grid.dat
configs/example-patterns/four-lig.dat
configs/example-patterns/one-lig.dat
configs/example-patterns/three-lig.dat
configs/example-patterns/two-lig.dat
configs/inputs/ch3.gro
configs/inputs/ch3.itp
configs/inputs/coh.gro
configs/inputs/coh.itp
configs/inputs/pattern.dat
samgen/__init__.py
samgen/_build.py
samgen/cli.py
samgen/geometry.py
samgen/gmx.py
samgen/interactive.py
samgen/topology.py
samgen.egg-info/PKG-INFO
samgen.egg-info/SOURCES.txt
samgen.egg-info/dependency_links.txt
samgen.egg-info/entry_points.txt
samgen.egg-info/requires.txt
samgen.egg-info/top_level.txt
samgen/core/__init__.py
samgen/core/anchor.py
samgen/core/gro.py
samgen/core/lattice.py
samgen/core/molecule.py
samgen/core/orient.py
samgen/core/periodicity.py
samgen/core/topfile.py
samgen/design/__init__.py
samgen/design/density.py
samgen/design/fraction.py
samgen/design/grid.py
samgen/design/multilig.py
samgen/design/uniform.py
tests/test_core.py
tests/test_density.py
tests/test_designs.py
tests/test_interactive.py
tests/test_orient.py
tests/test_periodicity.py
tests/test_placement.py
tests/test_smoke.py
tests/test_synthetic.py
tests/test_topology.py
tests/test_twosided.py