CHANGELOG.rst
CONTRIBUTING.rst
COPYING
LICENSE
MANIFEST.in
README.rst
config.py
pyproject.toml
pytest.ini
setup.cfg
setup.py
siteconfig_example.py
c/_gpaw.h
c/_gpaw_so.c
c/array.h
c/bc.c
c/bc.h
c/blacs.c
c/blas.c
c/constraints.c
c/elpa.c
c/extensions.h
c/f2c.h
c/fd_preconditioner.c
c/fftw.c
c/gpaw_complex.h
c/gpaw_elpa.h
c/gpaw_utils.c
c/gpaw_utils.h
c/lcao.c
c/lfc.c
c/lfc.h
c/lfc2.c
c/mpa.c
c/mpi.c
c/mympi.h
c/operators.c
c/operators.h
c/plane_wave.c
c/plt.c
c/point_charges.c
c/python_forward_declares.h
c/python_utils.h
c/spline.c
c/spline.h
c/symmetry.c
c/tetra.c
c/threading.h
c/transformers.c
c/transformers.h
c/utilities.c
c/wigner_seitz.c
c/woperators.c
c/bmgs/bmgs.c
c/bmgs/bmgs.h
c/bmgs/cut.c
c/bmgs/fd.c
c/bmgs/interpolate.c
c/bmgs/paste.c
c/bmgs/relax.c
c/bmgs/restrict.c
c/bmgs/sharmonic.py
c/bmgs/spherical_harmonics.h
c/bmgs/spline.c
c/bmgs/stencils.c
c/bmgs/tools.py
c/bmgs/translate.c
c/bmgs/wfd.c
c/bmgs/wrelax.c
c/bmgs/zero.c
c/gpu/bc.c
c/gpu/blas.c
c/gpu/bmgs.h
c/gpu/cuda.h
c/gpu/gpu-align.h
c/gpu/gpu-complex.h
c/gpu/gpu-runtime.h
c/gpu/gpu.h
c/gpu/gpu_interface.h
c/gpu/gpu_utils.h
c/gpu/hip.h
c/gpu/lfc_gpu.h
c/gpu/operators.c
c/gpu/setup.c
c/gpu/transformers.c
c/gpu/kernels/cut.cpp
c/gpu/kernels/elementwise.cpp
c/gpu/kernels/ext-potential.cpp
c/gpu/kernels/fd.cpp
c/gpu/kernels/interpolate-stencil.cpp
c/gpu/kernels/interpolate.cpp
c/gpu/kernels/lfc-reduce-kernel.cpp
c/gpu/kernels/lfc-reduce.cpp
c/gpu/kernels/lfc.cpp
c/gpu/kernels/linalg.cpp
c/gpu/kernels/mblas.cpp
c/gpu/kernels/paste.cpp
c/gpu/kernels/pwlfc-expand.cpp
c/gpu/kernels/reduce-kernel.cpp
c/gpu/kernels/reduce.cpp
c/gpu/kernels/relax.cpp
c/gpu/kernels/restrict-stencil.cpp
c/gpu/kernels/restrict.cpp
c/gpu/kernels/translate.cpp
c/xc/ensemble_gga.c
c/xc/libvdwxc.c
c/xc/libxc.c
c/xc/m06l.c
c/xc/pbe.c
c/xc/pw91.c
c/xc/revtpss.c
c/xc/revtpss_c_pbe.c
c/xc/rpbe.c
c/xc/tpss.c
c/xc/vdw.c
c/xc/xc.c
c/xc/xc_gpaw.h
c/xc/xc_mgga.c
c/xc/xc_mgga.h
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doc/tutorialsexercises/moleculardynamics/abinitiomd/agts.py
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