CMakeLists.txt
MANIFEST.in
README.md
requirements.txt
setup.py
CMakeModules/FindLAPACKE.cmake
CMakeModules/FindPythonLibsNew.cmake
flare_pp/__init__.py
flare_pp/parsers.py
flare_pp/sparse_gp.py
flare_pp/sparse_gp_calculator.py
flare_pp.egg-info/PKG-INFO
flare_pp.egg-info/SOURCES.txt
flare_pp.egg-info/dependency_links.txt
flare_pp.egg-info/requires.txt
flare_pp.egg-info/top_level.txt
src/.DS_Store
src/ace_binding.cpp
src/flare_pp/.DS_Store
src/flare_pp/cutoffs.cpp
src/flare_pp/cutoffs.h
src/flare_pp/json.h
src/flare_pp/radial.cpp
src/flare_pp/radial.h
src/flare_pp/structure.cpp
src/flare_pp/structure.h
src/flare_pp/y_grad.cpp
src/flare_pp/y_grad.h
src/flare_pp/bffs/gp.cpp
src/flare_pp/bffs/gp.h
src/flare_pp/bffs/sparse_gp.cpp
src/flare_pp/bffs/sparse_gp.h
src/flare_pp/descriptors/b2.cpp
src/flare_pp/descriptors/b2.h
src/flare_pp/descriptors/b2_norm.cpp
src/flare_pp/descriptors/b2_norm.h
src/flare_pp/descriptors/b2_simple.cpp
src/flare_pp/descriptors/b2_simple.h
src/flare_pp/descriptors/b3.cpp
src/flare_pp/descriptors/b3.h
src/flare_pp/descriptors/descriptor.cpp
src/flare_pp/descriptors/descriptor.h
src/flare_pp/descriptors/four_body.cpp
src/flare_pp/descriptors/four_body.h
src/flare_pp/descriptors/three_body.cpp
src/flare_pp/descriptors/three_body.h
src/flare_pp/descriptors/three_body_wide.cpp
src/flare_pp/descriptors/three_body_wide.h
src/flare_pp/descriptors/two_body.cpp
src/flare_pp/descriptors/two_body.h
src/flare_pp/descriptors/wigner3j.cpp
src/flare_pp/descriptors/wigner3j.h
src/flare_pp/kernels/kernel.cpp
src/flare_pp/kernels/kernel.h
src/flare_pp/kernels/norm_dot_icm.cpp
src/flare_pp/kernels/norm_dot_icm.h
src/flare_pp/kernels/normalized_dot_product.cpp
src/flare_pp/kernels/normalized_dot_product.h
src/flare_pp/kernels/squared_exponential.cpp
src/flare_pp/kernels/squared_exponential.h
tests/.DS_Store
tests/__init__.py
tests/get_sgp.py
tests/test_lammps.py
tests/test_parse.py
tests/test_sparse_gp.py
tests/__pycache__/__init__.cpython-36.pyc
tests/__pycache__/get_sgp.cpython-36.pyc
tests/__pycache__/test_lammps.cpython-36-pytest-5.4.1.pyc
tests/__pycache__/test_parse.cpython-36-pytest-5.4.1.pyc
tests/__pycache__/test_sparse_gp.cpython-36-pytest-5.4.1.pyc
tests/__pycache__/test_sparse_gp_calculator.cpython-36-pytest-5.4.1.pyc
tests/test_files/.DS_Store
tests/test_files/output.out
tests/test_files/output_files/.DS_Store
tests/test_files/output_files/2021.10.19.19.28.01.OUTCAR
tests/test_files/output_files/2021.10.19:19:44:37:OUTCAR