CHANGELOG.rst
CONTRIBUTING.rst
LICENSE
MANIFEST.in
README.rst
config.py
setup.py
siteconfig_example.py
c/_gpaw.c
c/bc.c
c/bc.h
c/blacs.c
c/blas.c
c/cerf.c
c/constraints.c
c/elpa.c
c/extensions.h
c/f2c.h
c/fftw.c
c/lcao.c
c/lfc.c
c/lfc.h
c/lfc2.c
c/mpi.c
c/mympi.h
c/operators.c
c/plane_wave.c
c/plt.c
c/point_charges.c
c/spline.c
c/spline.h
c/symmetry.c
c/tetra.c
c/transformers.c
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/spherical_harmonics.h
c/bmgs/spline.c
c/bmgs/stencils.c
c/bmgs/translate.c
c/bmgs/wfd.c
c/bmgs/wrelax.c
c/bmgs/zero.c
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
gpaw/__init__.py
gpaw/__main__.py
gpaw/ae.py
gpaw/ah.py
gpaw/arraydict.py
gpaw/band_descriptor.py
gpaw/basis_data.py
gpaw/berryphase.py
gpaw/blacs.py
gpaw/borncharges.py
gpaw/broadcast_imports.py
gpaw/bztools.py
gpaw/calculator.py
gpaw/cluster.py
gpaw/coding_style.py
gpaw/coulomb.py
gpaw/density.py
gpaw/dipole_correction.py
gpaw/domain.py
gpaw/dscf.py
gpaw/elf.py
gpaw/external.py
gpaw/fd_operators.py
gpaw/fftw.py
gpaw/forces.py
gpaw/fulldiag.py
gpaw/gaunt.py
gpaw/gauss.py
gpaw/grid_descriptor.py
gpaw/hamiltonian.py
gpaw/helmholtz.py
gpaw/hgh.py
gpaw/hgh_parameters.py
gpaw/hs_operators.py
gpaw/hubbard.py
gpaw/jellium.py
gpaw/kohnsham_layouts.py
gpaw/kpoint.py
gpaw/kpt_descriptor.py
gpaw/kpt_refine.py
gpaw/lfc.py
gpaw/matrix.py
gpaw/matrix_descriptor.py
gpaw/mixer.py
gpaw/mpi.py
gpaw/occupations.py
gpaw/output.py
gpaw/overlap.py
gpaw/pair_density.py
gpaw/pair_overlap.py
gpaw/parallel.py
gpaw/paw.py
gpaw/poisson.py
gpaw/poisson_extended.py
gpaw/poisson_extravacuum.py
gpaw/preconditioner.py
gpaw/projections.py
gpaw/pseudopotential.py
gpaw/rotation.py
gpaw/scf.py
gpaw/setup.py
gpaw/setup_data.py
gpaw/spherical_harmonics.py
gpaw/spinorbit.py
gpaw/spline.py
gpaw/stress.py
gpaw/symmetry.py
gpaw/transformers.py
gpaw/unfold.py
gpaw/upf.py
gpaw/wannier.py
gpaw/wannier90.py
gpaw/wfd_operators.py
gpaw/xas.py
gpaw.egg-info/PKG-INFO
gpaw.egg-info/SOURCES.txt
gpaw.egg-info/dependency_links.txt
gpaw.egg-info/entry_points.txt
gpaw.egg-info/pbr.json
gpaw.egg-info/requires.txt
gpaw.egg-info/top_level.txt
gpaw/analyse/__init__.py
gpaw/analyse/eed.py
gpaw/analyse/expandyl.py
gpaw/analyse/hirshfeld.py
gpaw/analyse/multipole.py
gpaw/analyse/observers.py
gpaw/analyse/overlap.py
gpaw/analyse/simple_stm.py
gpaw/analyse/vdwradii.py
gpaw/analyse/wignerseitz.py
gpaw/atom/__init__.py
gpaw/atom/aeatom.py
gpaw/atom/all_electron.py
gpaw/atom/analyse_setup.py
gpaw/atom/apawbasis.py
gpaw/atom/atompaw.py
gpaw/atom/basis.py
gpaw/atom/check.py
gpaw/atom/configurations.py
gpaw/atom/derivatives.py
gpaw/atom/filter.py
gpaw/atom/generator.py
gpaw/atom/generator2.py
gpaw/atom/gpaw_basis.py
gpaw/atom/gpaw_setup.py
gpaw/atom/optimize.py
gpaw/atom/radialgd.py
gpaw/atom/shapefunc.py
gpaw/cdft/__init__.py
gpaw/cdft/cdft.py
gpaw/cdft/cdft_coupling.py
gpaw/cli/__init__.py
gpaw/cli/complete.py
gpaw/cli/completion.py
gpaw/cli/dos.py
gpaw/cli/gpw.py
gpaw/cli/info.py
gpaw/cli/install_data.py
gpaw/cli/main.py
gpaw/cli/python.py
gpaw/cli/quick.py
gpaw/cli/run.py
gpaw/cli/sbatch.py
gpaw/defects/__init__.py
gpaw/dfpt/__init__.py
gpaw/dfpt/dynamicalmatrix.py
gpaw/dfpt/electronphononcoupling.py
gpaw/dfpt/kpointcontainer.py
gpaw/dfpt/linearsolver.py
gpaw/dfpt/mixer.py
gpaw/dfpt/perturbation.py
gpaw/dfpt/phononcalculator.py
gpaw/dfpt/phononperturbation.py
gpaw/dfpt/phonons.py
gpaw/dfpt/poisson.py
gpaw/dfpt/preconditioner.py
gpaw/dfpt/responsecalculator.py
gpaw/dfpt/scipylinearsolver.py
gpaw/dfpt/sternheimeroperator.py
gpaw/dfpt/wavefunctions.py
gpaw/eigensolvers/__init__.py
gpaw/eigensolvers/cg.py
gpaw/eigensolvers/davidson.py
gpaw/eigensolvers/direct.py
gpaw/eigensolvers/eigensolver.py
gpaw/eigensolvers/rmmdiis.py
gpaw/elph/__init__.py
gpaw/elph/electronphonon.py
gpaw/fdtd/__init__.py
gpaw/fdtd/poisson_fdtd.py
gpaw/fdtd/polarizable_material.py
gpaw/fdtd/potential_couplers.py
gpaw/hybrids/__init__.py
gpaw/hybrids/coulomb.py
gpaw/hybrids/exx.py
gpaw/hybrids/hybrid.py
gpaw/inducedfield/__init__.py
gpaw/inducedfield/inducedfield_base.py
gpaw/inducedfield/inducedfield_fdtd.py
gpaw/inducedfield/inducedfield_lrtddft.py
gpaw/inducedfield/inducedfield_tddft.py
gpaw/io/__init__.py
gpaw/io/cc1.py
gpaw/io/etsf.py
gpaw/io/fmf.py
gpaw/io/logger.py
gpaw/io/old.py
gpaw/io/tar.py
gpaw/io/tarext.py
gpaw/lcao/__init__.py
gpaw/lcao/analyse_basis.py
gpaw/lcao/atomic_correction.py
gpaw/lcao/bsse.py
gpaw/lcao/eigensolver.py
gpaw/lcao/el_ph.py
gpaw/lcao/generate_extended.py
gpaw/lcao/generate_ngto_augmented.py
gpaw/lcao/newoverlap.py
gpaw/lcao/overlap.py
gpaw/lcao/projected_wannier.py
gpaw/lcao/pwf2.py
gpaw/lcao/tci.py
gpaw/lcao/tightbinding.py
gpaw/lcao/tools.py
gpaw/lcaotddft/__init__.py
gpaw/lcaotddft/densitymatrix.py
gpaw/lcaotddft/dipolemomentwriter.py
gpaw/lcaotddft/frequencydensitymatrix.py
gpaw/lcaotddft/hamiltonian.py
gpaw/lcaotddft/ksdecomposition.py
gpaw/lcaotddft/logger.py
gpaw/lcaotddft/observer.py
gpaw/lcaotddft/propagators.py
gpaw/lcaotddft/restartdumper.py
gpaw/lcaotddft/split.py
gpaw/lcaotddft/tddfpt.py
gpaw/lcaotddft/utilities.py
gpaw/lcaotddft/wfwriter.py
gpaw/lrtddft/__init__.py
gpaw/lrtddft/apmb.py
gpaw/lrtddft/convergence.py
gpaw/lrtddft/dielectric.py
gpaw/lrtddft/excitation.py
gpaw/lrtddft/excited_state.py
gpaw/lrtddft/finite_differences.py
gpaw/lrtddft/kssingle.py
gpaw/lrtddft/omega_matrix.py
gpaw/lrtddft/spectrum.py
gpaw/lrtddft2/__init__.py
gpaw/lrtddft2/eta.py
gpaw/lrtddft2/k_matrix.py
gpaw/lrtddft2/ks_singles.py
gpaw/lrtddft2/lr_communicators.py
gpaw/lrtddft2/lr_layouts.py
gpaw/lrtddft2/lr_response.py
gpaw/lrtddft2/lr_transitions.py
gpaw/lrtddft2/rxnabla.py
gpaw/lrtddft2/tools.py
gpaw/pes/__init__.py
gpaw/pes/continuum.py
gpaw/pes/dos.py
gpaw/pes/ds_beta.py
gpaw/pes/state.py
gpaw/pes/tddft.py
gpaw/response/__init__.py
gpaw/response/bse.py
gpaw/response/chi0.py
gpaw/response/chiks.py
gpaw/response/df.py
gpaw/response/fxc.py
gpaw/response/fxckernel_calc.py
gpaw/response/g0w0.py
gpaw/response/gw_bands.py
gpaw/response/gwqeh.py
gpaw/response/integrators.py
gpaw/response/kernels.py
gpaw/response/kslrf.py
gpaw/response/kspair.py
gpaw/response/kxc.py
gpaw/response/math_func.py
gpaw/response/pair.py
gpaw/response/qeh.py
gpaw/response/susceptibility.py
gpaw/response/tms.py
gpaw/response/tool.py
gpaw/response/wstc.py
gpaw/solvation/__init__.py
gpaw/solvation/calculator.py
gpaw/solvation/cavity.py
gpaw/solvation/dielectric.py
gpaw/solvation/gridmem.py
gpaw/solvation/hamiltonian.py
gpaw/solvation/interactions.py
gpaw/solvation/poisson.py
gpaw/solvation/sjm.py
gpaw/sphere/__init__.py
gpaw/sphere/csh.py
gpaw/sphere/lebedev.py
gpaw/sphere/legendre.py
gpaw/sphere/rsh.py
gpaw/tddft/__init__.py
gpaw/tddft/abc.py
gpaw/tddft/bicgstab.py
gpaw/tddft/cscg.py
gpaw/tddft/ehrenfest.py
gpaw/tddft/folding.py
gpaw/tddft/fourier.py
gpaw/tddft/laser.py
gpaw/tddft/propagators.py
gpaw/tddft/spectrum.py
gpaw/tddft/tdopers.py
gpaw/tddft/units.py
gpaw/tddft/utils.py
gpaw/test/Gauss.py
gpaw/test/Hubbard_U.py
gpaw/test/Hubbard_U_Zn.py
gpaw/test/__init__.py
gpaw/test/aeatom.py
gpaw/test/aedensity.py
gpaw/test/atoms_mismatch.py
gpaw/test/atoms_too_close.py
gpaw/test/beef.py
gpaw/test/broydenmixer.py
gpaw/test/bztools.py
gpaw/test/cdft.py
gpaw/test/cluster.py
gpaw/test/complex.py
gpaw/test/coreeig.py
gpaw/test/coulomb.py
gpaw/test/crontab.py
gpaw/test/dipole.py
gpaw/test/ds_beta.py
gpaw/test/electronphonon.py
gpaw/test/fermilevel.py
gpaw/test/fermisplit.py
gpaw/test/fixdensity.py
gpaw/test/fixmom.py
gpaw/test/fixocc.py
gpaw/test/force_as_stop.py
gpaw/test/gauss_func.py
gpaw/test/gauss_wave.py
gpaw/test/gllbghost.py
gpaw/test/ibzqpt.py
gpaw/test/inducedfield_lrtddft.py
gpaw/test/inducedfield_td.py
gpaw/test/initial_occs.py
gpaw/test/jellium.py
gpaw/test/kpt.py
gpaw/test/kpt_refine.py
gpaw/test/libelpa.py
gpaw/test/mpicomm.py
gpaw/test/muffintinpot.py
gpaw/test/multipoleH2O.py
gpaw/test/multipoletest.py
gpaw/test/negative_eigerror.py
gpaw/test/numpy_test.py
gpaw/test/observer.py
gpaw/test/occupations.py
gpaw/test/overlap.py
gpaw/test/parunittest.py
gpaw/test/pbc.py
gpaw/test/potential.py
gpaw/test/rattle.py
gpaw/test/reorder_tests.py
gpaw/test/reuse_wfs.py
gpaw/test/reuse_wfs_celldisp.py
gpaw/test/scipy_test.py
gpaw/test/setup_basis_spec.py
gpaw/test/setup_derivatives.py
gpaw/test/spectrum.py
gpaw/test/spinorbit_Kr.py
gpaw/test/stdout.py
gpaw/test/test.py
gpaw/test/timelimit.py
gpaw/test/timing.py
gpaw/test/tpss.py
gpaw/test/ut_common.py
gpaw/test/ut_tddft.py
gpaw/test/vdwradii.py
gpaw/test/watermodel.py
gpaw/test/ase_features/__init__.py
gpaw/test/ase_features/ase3k.py
gpaw/test/ase_features/ase3k_version.py
gpaw/test/ase_features/asewannier.py
gpaw/test/ase_features/autoneb.py
gpaw/test/ase_features/neb.py
gpaw/test/ase_features/plt.py
gpaw/test/ase_features/wannierk.py
gpaw/test/ase_features/wannierk_lcao.py
gpaw/test/big/__init__.py
gpaw/test/big/dcdft/__init__.py
gpaw/test/big/dcdft/analyse.py
gpaw/test/big/dcdft/pbe_abinit_fhi.py
gpaw/test/big/dcdft/pbe_abinit_hgh.py
gpaw/test/big/dcdft/pbe_abinit_paw.py
gpaw/test/big/dcdft/pbe_aims.py
gpaw/test/big/dcdft/pbe_gpaw_pw.py
gpaw/test/big/dcdft/pbe_gpaw_pw_verify.py
gpaw/test/big/g2_1/__init__.py
gpaw/test/big/g2_1/analyse.py
gpaw/test/big/g2_1/g21gpaw.py
gpaw/test/big/g2_1/g21nwchem.py
gpaw/test/big/g2_1/generate.py
gpaw/test/big/g2_1/pbe_gpaw_nrel_plot.py
gpaw/test/big/g2_1/submit.agts.py
gpaw/test/big/hsk/__init__.py
gpaw/test/big/hsk/hsk.py
gpaw/test/big/kpb/__init__.py
gpaw/test/big/kpb/check.py
gpaw/test/big/kpb/molecules.py
gpaw/test/big/kpb/submit.agts.py
gpaw/test/big/scf/__init__.py
gpaw/test/big/scf/analyse.py
gpaw/test/big/setups/__init__.py
gpaw/test/corehole/__init__.py
gpaw/test/corehole/h2o.py
gpaw/test/corehole/h2o_dks.py
gpaw/test/corehole/h2o_recursion.py
gpaw/test/corehole/si.py
gpaw/test/corehole/si_nonortho.py
gpaw/test/dscf/__init__.py
gpaw/test/dscf/dscf_forces.py
gpaw/test/dscf/dscf_lcao.py
gpaw/test/eigen/__init__.py
gpaw/test/eigen/blocked_rmm_diis.py
gpaw/test/eigen/cg.py
gpaw/test/eigen/cg2.py
gpaw/test/eigen/davidson.py
gpaw/test/eigen/keep_htpsit.py
gpaw/test/ext_potential/__init__.py
gpaw/test/ext_potential/constant_e_field.py
gpaw/test/ext_potential/external.py
gpaw/test/ext_potential/external_pw.py
gpaw/test/ext_potential/harmonic.py
gpaw/test/ext_potential/point_charge.py
gpaw/test/ext_potential/stark_shift.py
gpaw/test/exx/AA_enthalpy.py
gpaw/test/exx/__init__.py
gpaw/test/exx/coarse.py
gpaw/test/exx/derivs.py
gpaw/test/exx/double_cell.py
gpaw/test/exx/exx.py
gpaw/test/exx/exx_scf.py
gpaw/test/exx/unocc.py
gpaw/test/fd_ops/__init__.py
gpaw/test/fd_ops/gd.py
gpaw/test/fd_ops/gradient.py
gpaw/test/fd_ops/laplace.py
gpaw/test/fd_ops/nabla.py
gpaw/test/fd_ops/non_periodic.py
gpaw/test/fd_ops/transformations.py
gpaw/test/fdtd/__init__.py
gpaw/test/fdtd/ed.py
gpaw/test/fdtd/ed_inducedfield.py
gpaw/test/fdtd/ed_shapes.py
gpaw/test/fdtd/ed_wrapper.py
gpaw/test/fileio/__init__.py
gpaw/test/fileio/file_reference.py
gpaw/test/fileio/idiotproof_setup.py
gpaw/test/fileio/parallel.py
gpaw/test/fileio/read_old_gpw.py
gpaw/test/fileio/refine.py
gpaw/test/fileio/restart.py
gpaw/test/fileio/restart_density.py
gpaw/test/fileio/wfs_auto.py
gpaw/test/fileio/wfs_io.py
gpaw/test/generic/2Al.py
gpaw/test/generic/8Si.py
gpaw/test/generic/Cl_minus.py
gpaw/test/generic/Cu.py
gpaw/test/generic/H_force.py
gpaw/test/generic/IP_oxygen.py
gpaw/test/generic/__init__.py
gpaw/test/generic/al_chain.py
gpaw/test/generic/asym_box.py
gpaw/test/generic/bulk.py
gpaw/test/generic/colinear.py
gpaw/test/generic/guc_force.py
gpaw/test/generic/hydrogen.py
gpaw/test/generic/mixer.py
gpaw/test/generic/move_across_cell.py
gpaw/test/generic/proton.py
gpaw/test/generic/relax.py
gpaw/test/generic/si.py
gpaw/test/generic/si_primitive.py
gpaw/test/gllb/__init__.py
gpaw/test/gllb/atomic.py
gpaw/test/gllb/diamond.py
gpaw/test/gllb/ne.py
gpaw/test/gllb/ne_disc.py
gpaw/test/gllb/restart_band_structure.py
gpaw/test/gllb/spin.py
gpaw/test/lcao/__init__.py
gpaw/test/lcao/atomic_corrections.py
gpaw/test/lcao/bsse.py
gpaw/test/lcao/bulk.py
gpaw/test/lcao/density.py
gpaw/test/lcao/dos.py
gpaw/test/lcao/fd2lcao_restart.py
gpaw/test/lcao/fftmixer.py
gpaw/test/lcao/force.py
gpaw/test/lcao/generate_ngto.py
gpaw/test/lcao/gllb_si.py
gpaw/test/lcao/h2o.py
gpaw/test/lcao/kpts_many_combinations.py
gpaw/test/lcao/largecellforce.py
gpaw/test/lcao/lcao_complicated.py
gpaw/test/lcao/lcao_elpa.py
gpaw/test/lcao/lcao_elpa_kpts.py
gpaw/test/lcao/lcao_hamiltonian.py
gpaw/test/lcao/lcao_parallel.py
gpaw/test/lcao/lcao_parallel_kpt.py
gpaw/test/lcao/lcao_projections.py
gpaw/test/lcao/pair_and_coulomb.py
gpaw/test/lcao/restart.py
gpaw/test/lcaotddft/__init__.py
gpaw/test/lcaotddft/fxc_is_xc.py
gpaw/test/lcaotddft/fxc_rpa.py
gpaw/test/lcaotddft/fxc_vs_linearize.py
gpaw/test/lcaotddft/ksdecomp.py
gpaw/test/lcaotddft/lcaotddft_vs_lrtddft2.py
gpaw/test/lcaotddft/lcaotddft_vs_lrtddft2_rpa.py
gpaw/test/lcaotddft/parallel_options.py
gpaw/test/lcaotddft/replay.py
gpaw/test/lcaotddft/restart.py
gpaw/test/lcaotddft/simple.py
gpaw/test/lfc/__init__.py
gpaw/test/lfc/derivatives.py
gpaw/test/lfc/lf.py
gpaw/test/lfc/second_derivative.py
gpaw/test/linalg/__init__.py
gpaw/test/linalg/blas.py
gpaw/test/linalg/dot.py
gpaw/test/linalg/gemm.py
gpaw/test/linalg/gemm_complex.py
gpaw/test/linalg/lapack.py
gpaw/test/linalg/mmm.py
gpaw/test/linalg/zher.py
gpaw/test/lrtddft/1.py
gpaw/test/lrtddft/2.py
gpaw/test/lrtddft/3.py
gpaw/test/lrtddft/__init__.py
gpaw/test/lrtddft/apmb.py
gpaw/test/lrtddft/d2Excdn2.py
gpaw/test/lrtddft/excited_state.py
gpaw/test/lrtddft/kssingles_Be.py
gpaw/test/lrtddft/pes.py
gpaw/test/lrtddft/placzek_profeta_albrecht.py
gpaw/test/lrtddft/rraman.py
gpaw/test/lrtddft/rraman_albrecht.py
gpaw/test/lrtddft2/Al2.py
gpaw/test/lrtddft2/H2O-lcao.py
gpaw/test/lrtddft2/__init__.py
gpaw/test/maths/__init__.py
gpaw/test/maths/erf.py
gpaw/test/maths/fftw.py
gpaw/test/maths/fsbt.py
gpaw/test/mgga/__init__.py
gpaw/test/mgga/mgga_restart.py
gpaw/test/mgga/mgga_sc.py
gpaw/test/mgga/nsc_MGGA.py
gpaw/test/noncollinear/__init__.py
gpaw/test/noncollinear/cr.agts.py
gpaw/test/noncollinear/o2.py
gpaw/test/noncollinear/soc.py
gpaw/test/ofdft/__init__.py
gpaw/test/ofdft/ofdft.py
gpaw/test/ofdft/ofdft_pbc.py
gpaw/test/ofdft/ofdft_scale.py
gpaw/test/parallel/__init__.py
gpaw/test/parallel/arraydict_redist.py
gpaw/test/parallel/augment_grid.py
gpaw/test/parallel/blacsdist.py
gpaw/test/parallel/compare.py
gpaw/test/parallel/diamond_gllb.py
gpaw/test/parallel/fd_parallel.py
gpaw/test/parallel/fd_parallel_kpt.py
gpaw/test/parallel/kptpar.py
gpaw/test/parallel/parallel_eigh.py
gpaw/test/parallel/pblas.py
gpaw/test/parallel/realspace_blacs.py
gpaw/test/parallel/redistribute_grid.py
gpaw/test/parallel/scalapack.py
gpaw/test/parallel/scalapack_diag.py
gpaw/test/parallel/scalapack_diag_simple.py
gpaw/test/parallel/scalapack_mpirecv_crash.py
gpaw/test/parallel/scalapack_pdlasrt_hang.py
gpaw/test/parallel/submatrix_redist.py
gpaw/test/parallel/ut_invops.py
gpaw/test/parallel/ut_parallel.py
gpaw/test/pathological/LDA_unstable.py
gpaw/test/pathological/__init__.py
gpaw/test/pathological/lcao_spos_derivative.py
gpaw/test/pathological/nonlocalset.py
gpaw/test/pathological/numpy_core_multiarray_dot.py
gpaw/test/pathological/numpy_zdotc_graphite.py
gpaw/test/poisson/__init__.py
gpaw/test/poisson/fastpoisson.py
gpaw/test/poisson/generalizedlaue.py
gpaw/test/poisson/metallic_poisson.py
gpaw/test/poisson/poisson.py
gpaw/test/poisson/poisson_asym.py
gpaw/test/poisson/poisson_extended.py
gpaw/test/poisson/poisson_extravacuum.py
gpaw/test/poisson/poisson_restart.py
gpaw/test/poisson/screened_poisson.py
gpaw/test/pseudopotential/H_pz_hgh.py
gpaw/test/pseudopotential/H_sg15.py
gpaw/test/pseudopotential/O_pz_hgh.py
gpaw/test/pseudopotential/__init__.py
gpaw/test/pseudopotential/ah.py
gpaw/test/pseudopotential/atompaw.py
gpaw/test/pseudopotential/hgh_h2o.py
gpaw/test/pseudopotential/sg15_hydrogen.py
gpaw/test/pseudopotential/upf_h2o.py
gpaw/test/pw/__init__.py
gpaw/test/pw/augment_grids.py
gpaw/test/pw/bulk.py
gpaw/test/pw/davidson_pw.py
gpaw/test/pw/direct.py
gpaw/test/pw/expert_diag.py
gpaw/test/pw/fftmixer.py
gpaw/test/pw/fulldiag.py
gpaw/test/pw/fulldiagk.py
gpaw/test/pw/h.py
gpaw/test/pw/interpol.py
gpaw/test/pw/lfc.py
gpaw/test/pw/moleculecg.py
gpaw/test/pw/par_strategies.py
gpaw/test/pw/reallfc.py
gpaw/test/pw/si_stress.py
gpaw/test/pw/slab.py
gpaw/test/pw/smallanglecell.py
gpaw/test/pw/stresstest.py
gpaw/test/radial/__init__.py
gpaw/test/radial/integral4.py
gpaw/test/radial/lebedev.py
gpaw/test/radial/two_phi_plw_integrals.py
gpaw/test/radial/ylexpand.py
gpaw/test/radial/yukawa_radial.py
gpaw/test/ralda/__init__.py
gpaw/test/ralda/ralda_C6_He.py
gpaw/test/ralda/ralda_energy_H2.py
gpaw/test/ralda/ralda_energy_N2.py
gpaw/test/ralda/ralda_energy_Ni.py
gpaw/test/ralda/ralda_energy_Si.py
gpaw/test/response/__init__.py
gpaw/test/response/aluminum_EELS_ALDA.py
gpaw/test/response/aluminum_EELS_RPA.py
gpaw/test/response/au02_absorption.py
gpaw/test/response/bse_MoS2_cut.py
gpaw/test/response/bse_aluminum.py
gpaw/test/response/bse_silicon.py
gpaw/test/response/chi0.py
gpaw/test/response/chi0_intraband_test.py
gpaw/test/response/diamond_absorption.py
gpaw/test/response/graphene.py
gpaw/test/response/graphene_EELS.py
gpaw/test/response/graphene_refined_response.py
gpaw/test/response/gw0_hBN.py
gpaw/test/response/gw_MoS2_cut.py
gpaw/test/response/gw_hBN_extrapolate.py
gpaw/test/response/gwsi.py
gpaw/test/response/hyd_chain_response.py
gpaw/test/response/iron_sf_ALDA.py
gpaw/test/response/iron_sf_gssALDA.py
gpaw/test/response/na_plasmon.py
gpaw/test/response/na_plasmons.py
gpaw/test/response/na_plasmons_tetrahedron.py
gpaw/test/response/pair.py
gpaw/test/response/pdens_tool.py
gpaw/test/response/silicon_chi_RPA.py
gpaw/test/response/symmetry.py
gpaw/test/response/test_unit_sphere_area.py
gpaw/test/response/two-aluminum_chi_RPA.py
gpaw/test/rpa/__init__.py
gpaw/test/rpa/rpa_C6_He.py
gpaw/test/rpa/rpa_energy_N2.py
gpaw/test/rpa/rpa_energy_Na.py
gpaw/test/rpa/rpa_energy_Ni.py
gpaw/test/rpa/rpa_energy_Si.py
gpaw/test/rsf_yukawa/__init__.py
gpaw/test/rsf_yukawa/lrtddft.py
gpaw/test/rsf_yukawa/lrtddft_short.py
gpaw/test/rsf_yukawa/rsf_general.py
gpaw/test/rsf_yukawa/rsf_ivo_sing_mg.py
gpaw/test/rsf_yukawa/submit.agts.py
gpaw/test/setups/__init__.py
gpaw/test/setups/lithium.py
gpaw/test/sic/__init__.py
gpaw/test/sic/agts.py
gpaw/test/sic/nscfsic.py
gpaw/test/sic/scfsic_h2.py
gpaw/test/sic/scfsic_n2.py
gpaw/test/solvation/__init__.py
gpaw/test/solvation/adm12.py
gpaw/test/solvation/forces.py
gpaw/test/solvation/forces_symmetry.py
gpaw/test/solvation/lrtddft.py
gpaw/test/solvation/nan_radius.py
gpaw/test/solvation/overlap.py
gpaw/test/solvation/pbc.py
gpaw/test/solvation/pbc_pos_repeat.py
gpaw/test/solvation/poisson.py
gpaw/test/solvation/sfgcm06.py
gpaw/test/solvation/sjm.py
gpaw/test/solvation/solvation_api.py
gpaw/test/solvation/spinpol.py
gpaw/test/solvation/sss09.py
gpaw/test/solvation/swap_atoms.py
gpaw/test/solvation/vacuum.py
gpaw/test/solvation/water_water.py
gpaw/test/spin/__init__.py
gpaw/test/spin/spinFe3plus.py
gpaw/test/spin/spin_contamination.py
gpaw/test/spin/spinpol.py
gpaw/test/symmetry/__init__.py
gpaw/test/symmetry/band_symmetries.py
gpaw/test/symmetry/check.py
gpaw/test/symmetry/fractional_translations.py
gpaw/test/symmetry/fractional_translations_big.py
gpaw/test/symmetry/fractional_translations_med.py
gpaw/test/symmetry/kpoint_mapping.py
gpaw/test/symmetry/symmetry.py
gpaw/test/symmetry/symmetry_ft.py
gpaw/test/symmetry/usesymm.py
gpaw/test/symmetry/usesymm2.py
gpaw/test/tddft/__init__.py
gpaw/test/tddft/be_nltd_ip.py
gpaw/test/tddft/ehrenfest_nacl.py
gpaw/test/tddft/fxc_linearize.py
gpaw/test/tddft/restart.py
gpaw/test/tddft/td_na2.py
gpaw/test/utilities/__init__.py
gpaw/test/utilities/eed.py
gpaw/test/utilities/elf.py
gpaw/test/utilities/ewald.py
gpaw/test/utilities/ldos.py
gpaw/test/utilities/partitioning.py
gpaw/test/utilities/simple_stm.py
gpaw/test/utilities/wannier_ethylene.py
gpaw/test/vdw/H_Hirshfeld.py
gpaw/test/vdw/__init__.py
gpaw/test/vdw/ar2.py
gpaw/test/vdw/libvdwxc_functionals.py
gpaw/test/vdw/libvdwxc_h2.py
gpaw/test/vdw/libvdwxc_mbeef.py
gpaw/test/vdw/libvdwxc_spin.py
gpaw/test/vdw/potential.py
gpaw/test/vdw/quick.py
gpaw/test/vdw/quick_spin.py
gpaw/test/vdw/ts09.py
gpaw/test/xc/XC2.py
gpaw/test/xc/__init__.py
gpaw/test/xc/atomize.py
gpaw/test/xc/degeneracy.py
gpaw/test/xc/gga_atom.py
gpaw/test/xc/lb94.py
gpaw/test/xc/lxc_xcatom.py
gpaw/test/xc/nonselfconsistent.py
gpaw/test/xc/nonselfconsistentLDA.py
gpaw/test/xc/pbe_pw91.py
gpaw/test/xc/pplda.py
gpaw/test/xc/pygga.py
gpaw/test/xc/qna_band.py
gpaw/test/xc/qna_force.py
gpaw/test/xc/qna_spinpol.py
gpaw/test/xc/qna_stress.py
gpaw/test/xc/revPBE.py
gpaw/test/xc/revPBE_Li.py
gpaw/test/xc/tb09.py
gpaw/test/xc/xc.py
gpaw/test/xc/xcatom.py
gpaw/utilities/__init__.py
gpaw/utilities/agts_crontab.py
gpaw/utilities/blas.py
gpaw/utilities/build_web_page.py
gpaw/utilities/cg.py
gpaw/utilities/debug.py
gpaw/utilities/dos.py
gpaw/utilities/dscftools.py
gpaw/utilities/ekin.py
gpaw/utilities/elpa.py
gpaw/utilities/ewald.py
gpaw/utilities/extend_grid.py
gpaw/utilities/folder.py
gpaw/utilities/gauss.py
gpaw/utilities/gl_quadrature.py
gpaw/utilities/gpts.py
gpaw/utilities/grid.py
gpaw/utilities/grid_redistribute.py
gpaw/utilities/hardware.py
gpaw/utilities/hilbert.py
gpaw/utilities/ibz2bz.py
gpaw/utilities/jth.py
gpaw/utilities/kspot.py
gpaw/utilities/kwargs.py
gpaw/utilities/memory.py
gpaw/utilities/nbrun.py
gpaw/utilities/newrelease.py
gpaw/utilities/partition.py
gpaw/utilities/progressbar.py
gpaw/utilities/ps2ae.py
gpaw/utilities/pw.py
gpaw/utilities/scalapack.py
gpaw/utilities/sic.py
gpaw/utilities/timelimit.py
gpaw/utilities/timing.py
gpaw/utilities/tools.py
gpaw/utilities/viewmol.py
gpaw/utilities/watermodel.py
gpaw/wavefunctions/__init__.py
gpaw/wavefunctions/arrays.py
gpaw/wavefunctions/base.py
gpaw/wavefunctions/fd.py
gpaw/wavefunctions/fdpw.py
gpaw/wavefunctions/lcao.py
gpaw/wavefunctions/mode.py
gpaw/wavefunctions/pw.py
gpaw/xc/__init__.py
gpaw/xc/bee.py
gpaw/xc/exx.py
gpaw/xc/functional.py
gpaw/xc/fxc.py
gpaw/xc/gga.py
gpaw/xc/hybrid.py
gpaw/xc/kernel.py
gpaw/xc/lb94.py
gpaw/xc/lda.py
gpaw/xc/libvdwxc.py
gpaw/xc/libxc.py
gpaw/xc/mgga.py
gpaw/xc/noncollinear.py
gpaw/xc/parametrizedxc.py
gpaw/xc/pawcorrection.py
gpaw/xc/qna.py
gpaw/xc/rpa.py
gpaw/xc/sic.py
gpaw/xc/tb09.py
gpaw/xc/tools.py
gpaw/xc/vdw.py
gpaw/xc/gllb/__init__.py
gpaw/xc/gllb/c_gllbscr.py
gpaw/xc/gllb/c_response.py
gpaw/xc/gllb/c_xc.py
gpaw/xc/gllb/contribution.py
gpaw/xc/gllb/nonlocalfunctional.py
gpaw/xc/gllb/nonlocalfunctionalfactory.py
tools/gpaw-analyse-basis
tools/gpaw-basis
tools/gpaw-mpisim
tools/gpaw-plot-parallel-timings
tools/gpaw-runscript
tools/gpaw-setup
tools/gpaw-upfplot