LICENSE
MANIFEST.in
NOTICE
README.rst
setup.cfg
setup.py
atsim/__init__.py
atsim.potentials.egg-info/PKG-INFO
atsim.potentials.egg-info/SOURCES.txt
atsim.potentials.egg-info/dependency_links.txt
atsim.potentials.egg-info/namespace_packages.txt
atsim.potentials.egg-info/requires.txt
atsim.potentials.egg-info/top_level.txt
atsim/potentials/__init__.py
atsim/potentials/_common.py
atsim/potentials/_dlpoly_writeTABEAM.py
atsim/potentials/_dlpoly_writeTABLE.py
atsim/potentials/_lammpsWriteEAM.py
atsim/potentials/_lammps_writeTABLE.py
atsim/potentials/_spline.py
atsim/potentials/_tablereaders.py
atsim/potentials/_util.py
atsim/potentials/potentialforms.py
docs/basak_tabulate.py
docs/basak_tabulate_lammps.py
docs/changes.rst
docs/conf.py
docs/credits.rst
docs/examples.rst
docs/index.rst
docs/installation.rst
docs/license.rst
docs/quickstart.rst
docs/reference.rst
docs/_static/.hidden
docs/_templates/.hidden
docs/basak_tabulate_dlpoly/CONFIG
docs/basak_tabulate_dlpoly/CONTROL
docs/basak_tabulate_dlpoly/FIELD
docs/basak_tabulate_dlpoly/TABLE
docs/basak_tabulate_lammps/UO2.lmpstruct
docs/basak_tabulate_lammps/equilibrate.lmpin
docs/potentials/eam_tabulate_example1.py
docs/potentials/eam_tabulate_example2a.py
docs/potentials/eam_tabulate_example2b.py
docs/potentials/eam_tabulate_example3a.py
docs/potentials/eam_tabulate_example3b.py
docs/potentials/eam_tabulation.rst
docs/potentials/example1_minimize.lmpin
docs/potentials/fcc.lmpstruct
docs/potentials/pair_potential_tabulation.rst
docs/potentials/zbl_spline.py
docs/potentials/images/bks_plot.png
docs/potentials/images/bks_zbl_plot.png
tests/__init__.py
tests/_rundlpoly.py
tests/_runlammps.py
tests/_tempfiletestcase.py
tests/test_dlpoly_writeTABEAM.py
tests/test_dlpoly_writeTABLE.py
tests/test_documentation_examples.py
tests/test_lammpsWriteEAM.py
tests/test_lammpsWriteTABLE.py
tests/testutil.py
tests/dl_poly_resources/CONFIG_CeO2
tests/dl_poly_resources/CONFIG_pair.in
tests/dl_poly_resources/CONFIG_random_Al_Cu
tests/dl_poly_resources/CONFIG_random_Al_Fe
tests/dl_poly_resources/CONFIG_triplet_eeam
tests/dl_poly_resources/CONTROL_CeO2
tests/dl_poly_resources/CONTROL_pair
tests/dl_poly_resources/CONTROL_random_Al_Cu
tests/dl_poly_resources/CONTROL_random_Al_Fe
tests/dl_poly_resources/CONTROL_triplet_eeam
tests/dl_poly_resources/FIELD_CeO2
tests/dl_poly_resources/FIELD_pair.in
tests/dl_poly_resources/FIELD_random_Al_Cu
tests/dl_poly_resources/FIELD_random_Al_Fe
tests/dl_poly_resources/FIELD_triplet_eeam
tests/lammps_resources/AgU3density.table
tests/lammps_resources/AgU3effectivecharge.table
tests/lammps_resources/AgU3embedding.table
tests/lammps_resources/Ag_u3.eam
tests/lammps_resources/AlCu.eam.alloy
tests/lammps_resources/AlFe_mm.eam.fs
tests/lammps_resources/Al_zhou.eam.alloy
tests/lammps_resources/CeO2-single_cell.lmpstruct
tests/lammps_resources/Zhou_AlCu.setfl
tests/lammps_resources/calc_energy.lmpin
tests/lammps_resources/doc_example1_Ag_fcc.lmpstruct
tests/lammps_resources/random_Al_Cu.lmpstruct
tests/lammps_resources/random_Al_Fe.lmpstruct
tests/lammps_resources/setfl_AlAlPair.table
tests/lammps_resources/setfl_AlDensity.table
tests/lammps_resources/setfl_AlEmbed.table
tests/lammps_resources/setfl_CuAlPair.table
tests/lammps_resources/setfl_CuCuPair.table
tests/lammps_resources/setfl_CuDensity.table
tests/lammps_resources/setfl_CuEmbed.table
tests/lammps_resources/setfl_pair.lmpstruct
tests/lammps_resources/setfl_triplet.lmpstruct
tests/lammps_resources/writefuncfl_pair.lmpstruct