[ol7_developer_EPEL] gpaw-1.2.0-2.el7.x86_64

GPAW is a density-functional theory (DFT) Python code based
on the projector-augmented wave (PAW) method and the
atomic simulation environment (ASE). It uses real-space uniform grids and
multigrid methods or atom-centered basis-functions.

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• /

  • usr

    • bin

      • gpaw

      • gpaw-analyse-basis

      • gpaw-basis

      • gpaw-mpisim

      • gpaw-plot-parallel-timings

      • gpaw-runscript

      • gpaw-setup

      • gpaw-upfplot

    • lib64

      • python2.7

        • site-packages

          • _gpaw.so

          • gpaw

            • __init__.py

            • __init__.pyc

            • __init__.pyo

            • __main__.py

            • __main__.pyc

            • __main__.pyo

            • ae.py

            • ae.pyc

            • ae.pyo

            • ah.py

            • ah.pyc

            • ah.pyo

            • analyse

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • eed.py

              • eed.pyc

              • eed.pyo

              • expandyl.py

              • expandyl.pyc

              • expandyl.pyo

              • hirshfeld.py

              • hirshfeld.pyc

              • hirshfeld.pyo

              • multipole.py

              • multipole.pyc

              • multipole.pyo

              • observers.py

              • observers.pyc

              • observers.pyo

              • simple_stm.py

              • simple_stm.pyc

              • simple_stm.pyo

              • vdwradii.py

              • vdwradii.pyc

              • vdwradii.pyo

              • wignerseitz.py

              • wignerseitz.pyc

              • wignerseitz.pyo

            • arraydict.py

            • arraydict.pyc

            • arraydict.pyo

            • atom

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • aeatom.py

              • aeatom.pyc

              • aeatom.pyo

              • all_electron.py

              • all_electron.pyc

              • all_electron.pyo

              • analyse_setup.py

              • analyse_setup.pyc

              • analyse_setup.pyo

              • apawbasis.py

              • apawbasis.pyc

              • apawbasis.pyo

              • atompaw.py

              • atompaw.pyc

              • atompaw.pyo

              • basis.py

              • basis.pyc

              • basis.pyo

              • check.py

              • check.pyc

              • check.pyo

              • configurations.py

              • configurations.pyc

              • configurations.pyo

              • derivatives.py

              • derivatives.pyc

              • derivatives.pyo

              • filter.py

              • filter.pyc

              • filter.pyo

              • generator.py

              • generator.pyc

              • generator.pyo

              • generator2.py

              • generator2.pyc

              • generator2.pyo

              • gpaw_basis.py

              • gpaw_basis.pyc

              • gpaw_basis.pyo

              • gpaw_setup.py

              • gpaw_setup.pyc

              • gpaw_setup.pyo

              • optimize.py

              • optimize.pyc

              • optimize.pyo

              • radialgd.py

              • radialgd.pyc

              • radialgd.pyo

            • band_descriptor.py

            • band_descriptor.pyc

            • band_descriptor.pyo

            • basis_data.py

            • basis_data.pyc

            • basis_data.pyo

            • blacs.py

            • blacs.pyc

            • blacs.pyo

            • calculator.py

            • calculator.pyc

            • calculator.pyo

            • cdft.py

            • cdft.pyc

            • cdft.pyo

            • cli

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • dos.py

              • dos.pyc

              • dos.pyo

              • gpw.py

              • gpw.pyc

              • gpw.pyo

              • info.py

              • info.pyc

              • info.pyo

              • install_data.py

              • install_data.pyc

              • install_data.pyo

              • main.py

              • main.pyc

              • main.pyo

              • quick.py

              • quick.pyc

              • quick.pyo

              • run.py

              • run.pyc

              • run.pyo

            • cluster.py

            • cluster.pyc

            • cluster.pyo

            • coding_style.py

            • coding_style.pyc

            • coding_style.pyo

            • coulomb.py

            • coulomb.pyc

            • coulomb.pyo

            • density.py

            • density.pyc

            • density.pyo

            • dfpt

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • dynamicalmatrix.py

              • dynamicalmatrix.pyc

              • dynamicalmatrix.pyo

              • electronphononcoupling.py

              • electronphononcoupling.pyc

              • electronphononcoupling.pyo

              • kpointcontainer.py

              • kpointcontainer.pyc

              • kpointcontainer.pyo

              • linearsolver.py

              • linearsolver.pyc

              • linearsolver.pyo

              • mixer.py

              • mixer.pyc

              • mixer.pyo

              • perturbation.py

              • perturbation.pyc

              • perturbation.pyo

              • phononcalculator.py

              • phononcalculator.pyc

              • phononcalculator.pyo

              • phononperturbation.py

              • phononperturbation.pyc

              • phononperturbation.pyo

              • phonons.py

              • phonons.pyc

              • phonons.pyo

              • poisson.py

              • poisson.pyc

              • poisson.pyo

              • preconditioner.py

              • preconditioner.pyc

              • preconditioner.pyo

              • responsecalculator.py

              • responsecalculator.pyc

              • responsecalculator.pyo

              • scipylinearsolver.py

              • scipylinearsolver.pyc

              • scipylinearsolver.pyo

              • sternheimeroperator.py

              • sternheimeroperator.pyc

              • sternheimeroperator.pyo

              • wavefunctions.py

              • wavefunctions.pyc

              • wavefunctions.pyo

            • dipole_correction.py

            • dipole_correction.pyc

            • dipole_correction.pyo

            • domain.py

            • domain.pyc

            • domain.pyo

            • dscf.py

            • dscf.pyc

            • dscf.pyo

            • eigensolvers

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • cg.py

              • cg.pyc

              • cg.pyo

              • davidson.py

              • davidson.pyc

              • davidson.pyo

              • eigensolver.py

              • eigensolver.pyc

              • eigensolver.pyo

              • rmm_diis_old.py

              • rmm_diis_old.pyc

              • rmm_diis_old.pyo

              • rmmdiis.py

              • rmmdiis.pyc

              • rmmdiis.pyo

            • elf.py

            • elf.pyc

            • elf.pyo

            • elph

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • electronphonon.py

              • electronphonon.pyc

              • electronphonon.pyo

            • external.py

            • external.pyc

            • external.pyo

            • factory.py

            • factory.pyc

            • factory.pyo

            • fd_operators.py

            • fd_operators.pyc

            • fd_operators.pyo

            • fdtd

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • poisson_fdtd.py

              • poisson_fdtd.pyc

              • poisson_fdtd.pyo

              • polarizable_material.py

              • polarizable_material.pyc

              • polarizable_material.pyo

              • potential_couplers.py

              • potential_couplers.pyc

              • potential_couplers.pyo

            • fftw.py

            • fftw.pyc

            • fftw.pyo

            • forces.py

            • forces.pyc

            • forces.pyo

            • fulldiag.py

            • fulldiag.pyc

            • fulldiag.pyo

            • gaunt.py

            • gaunt.pyc

            • gaunt.pyo

            • gauss.py

            • gauss.pyc

            • gauss.pyo

            • grid_descriptor.py

            • grid_descriptor.pyc

            • grid_descriptor.pyo

            • hamiltonian.py

            • hamiltonian.pyc

            • hamiltonian.pyo

            • helmholtz.py

            • helmholtz.pyc

            • helmholtz.pyo

            • hgh.py

            • hgh.pyc

            • hgh.pyo

            • hgh_parameters.py

            • hgh_parameters.pyc

            • hgh_parameters.pyo

            • hs_operators.py

            • hs_operators.pyc

            • hs_operators.pyo

            • inducedfield

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • inducedfield_base.py

              • inducedfield_base.pyc

              • inducedfield_base.pyo

              • inducedfield_fdtd.py

              • inducedfield_fdtd.pyc

              • inducedfield_fdtd.pyo

              • inducedfield_lrtddft.py

              • inducedfield_lrtddft.pyc

              • inducedfield_lrtddft.pyo

              • inducedfield_tddft.py

              • inducedfield_tddft.pyc

              • inducedfield_tddft.pyo

            • io

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • cc1.py

              • cc1.pyc

              • cc1.pyo

              • etsf.py

              • etsf.pyc

              • etsf.pyo

              • fmf.py

              • fmf.pyc

              • fmf.pyo

              • logger.py

              • logger.pyc

              • logger.pyo

              • old.py

              • old.pyc

              • old.pyo

              • tar.py

              • tar.pyc

              • tar.pyo

              • tarext.py

              • tarext.pyc

              • tarext.pyo

            • jellium.py

            • jellium.pyc

            • jellium.pyo

            • kohnsham_layouts.py

            • kohnsham_layouts.pyc

            • kohnsham_layouts.pyo

            • kpoint.py

            • kpoint.pyc

            • kpoint.pyo

            • kpt_descriptor.py

            • kpt_descriptor.pyc

            • kpt_descriptor.pyo

            • lcao

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • analyse_basis.py

              • analyse_basis.pyc

              • analyse_basis.pyo

              • atomic_correction.py

              • atomic_correction.pyc

              • atomic_correction.pyo

              • bsse.py

              • bsse.pyc

              • bsse.pyo

              • eigensolver.py

              • eigensolver.pyc

              • eigensolver.pyo

              • el_ph.py

              • el_ph.pyc

              • el_ph.pyo

              • generate_extended.py

              • generate_extended.pyc

              • generate_extended.pyo

              • generate_ngto_augmented.py

              • generate_ngto_augmented.pyc

              • generate_ngto_augmented.pyo

              • newoverlap.py

              • newoverlap.pyc

              • newoverlap.pyo

              • overlap.py

              • overlap.pyc

              • overlap.pyo

              • projected_wannier.py

              • projected_wannier.pyc

              • projected_wannier.pyo

              • pwf2.py

              • pwf2.pyc

              • pwf2.pyo

              • tightbinding.py

              • tightbinding.pyc

              • tightbinding.pyo

              • tools.py

              • tools.pyc

              • tools.pyo

            • lcaotddft

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • split.py

              • split.pyc

              • split.pyo

              • tddfpt.py

              • tddfpt.pyc

              • tddfpt.pyo

            • lfc.py

            • lfc.pyc

            • lfc.pyo

            • localized_functions.py

            • localized_functions.pyc

            • localized_functions.pyo

            • lrtddft

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • apmb.py

              • apmb.pyc

              • apmb.pyo

              • convergence.py

              • convergence.pyc

              • convergence.pyo

              • dielectric.py

              • dielectric.pyc

              • dielectric.pyo

              • excitation.py

              • excitation.pyc

              • excitation.pyo

              • excited_state.py

              • excited_state.pyc

              • excited_state.pyo

              • finite_differences.py

              • finite_differences.pyc

              • finite_differences.pyo

              • kssingle.py

              • kssingle.pyc

              • kssingle.pyo

              • omega_matrix.py

              • omega_matrix.pyc

              • omega_matrix.pyo

              • spectrum.py

              • spectrum.pyc

              • spectrum.pyo

            • lrtddft2

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • eta.py

              • eta.pyc

              • eta.pyo

              • k_matrix.py

              • k_matrix.pyc

              • k_matrix.pyo

              • ks_singles.py

              • ks_singles.pyc

              • ks_singles.pyo

              • lr_communicators.py

              • lr_communicators.pyc

              • lr_communicators.pyo

              • lr_layouts.py

              • lr_layouts.pyc

              • lr_layouts.pyo

              • lr_response.py

              • lr_response.pyc

              • lr_response.pyo

              • lr_transitions.py

              • lr_transitions.pyc

              • lr_transitions.pyo

              • rxnabla.py

              • rxnabla.pyc

              • rxnabla.pyo

              • tools.py

              • tools.pyc

              • tools.pyo

            • matrix_descriptor.py

            • matrix_descriptor.pyc

            • matrix_descriptor.pyo

            • mixer.py

            • mixer.pyc

            • mixer.pyo

            • mpi

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • config.py

              • config.pyc

              • config.pyo

            • occupations.py

            • occupations.pyc

            • occupations.pyo

            • output.py

            • output.pyc

            • output.pyo

            • overlap.py

            • overlap.pyc

            • overlap.pyo

            • pair_density.py

            • pair_density.pyc

            • pair_density.pyo

            • pair_overlap.py

            • pair_overlap.pyc

            • pair_overlap.pyo

            • parallel.py

            • parallel.pyc

            • parallel.pyo

            • paw.py

            • paw.pyc

            • paw.pyo

            • pes

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • continuum.py

              • continuum.pyc

              • continuum.pyo

              • dos.py

              • dos.pyc

              • dos.pyo

              • ds_beta.py

              • ds_beta.pyc

              • ds_beta.pyo

              • state.py

              • state.pyc

              • state.pyo

              • tddft.py

              • tddft.pyc

              • tddft.pyo

            • poisson.py

            • poisson.pyc

            • poisson.pyo

            • poisson_extended.py

            • poisson_extended.pyc

            • poisson_extended.pyo

            • preconditioner.py

            • preconditioner.pyc

            • preconditioner.pyo

            • pseudopotential.py

            • pseudopotential.pyc

            • pseudopotential.pyo

            • response

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • bse.py

              • bse.pyc

              • bse.pyo

              • chi0.py

              • chi0.pyc

              • chi0.pyo

              • df.py

              • df.pyc

              • df.pyo

              • fxc.py

              • fxc.pyc

              • fxc.pyo

              • g0w0.py

              • g0w0.pyc

              • g0w0.pyo

              • gw_bands.py

              • gw_bands.pyc

              • gw_bands.pyo

              • gwqeh.py

              • gwqeh.pyc

              • gwqeh.pyo

              • kernels.py

              • kernels.pyc

              • kernels.pyo

              • math_func.py

              • math_func.pyc

              • math_func.pyo

              • pair.py

              • pair.pyc

              • pair.pyo

              • qeh.py

              • qeh.pyc

              • qeh.pyo

              • tool.py

              • tool.pyc

              • tool.pyo

              • wstc.py

              • wstc.pyc

              • wstc.pyo

            • rotation.py

            • rotation.pyc

            • rotation.pyo

            • scf.py

            • scf.pyc

            • scf.pyo

            • setup.py

            • setup.pyc

            • setup.pyo

            • setup_data.py

            • setup_data.pyc

            • setup_data.pyo

            • solvation

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • calculator.py

              • calculator.pyc

              • calculator.pyo

              • cavity.py

              • cavity.pyc

              • cavity.pyo

              • dielectric.py

              • dielectric.pyc

              • dielectric.pyo

              • gridmem.py

              • gridmem.pyc

              • gridmem.pyo

              • hamiltonian.py

              • hamiltonian.pyc

              • hamiltonian.pyo

              • interactions.py

              • interactions.pyc

              • interactions.pyo

              • poisson.py

              • poisson.pyc

              • poisson.pyo

            • sphere

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • csh.py

              • csh.pyc

              • csh.pyo

              • lebedev.py

              • lebedev.pyc

              • lebedev.pyo

              • legendre.py

              • legendre.pyc

              • legendre.pyo

              • rsh.py

              • rsh.pyc

              • rsh.pyo

            • spherical_harmonics.py

            • spherical_harmonics.pyc

            • spherical_harmonics.pyo

            • spinorbit.py

            • spinorbit.pyc

            • spinorbit.pyo

            • spline.py

            • spline.pyc

            • spline.pyo

            • stress.py

            • stress.pyc

            • stress.pyo

            • symmetry.py

            • symmetry.pyc

            • symmetry.pyo

            • tddft

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • abc.py

              • abc.pyc

              • abc.pyo

              • bicgstab.py

              • bicgstab.pyc

              • bicgstab.pyo

              • cscg.py

              • cscg.pyc

              • cscg.pyo

              • ehrenfest.py

              • ehrenfest.pyc

              • ehrenfest.pyo

              • fourier.py

              • fourier.pyc

              • fourier.pyo

              • laser.py

              • laser.pyc

              • laser.pyo

              • propagators.py

              • propagators.pyc

              • propagators.pyo

              • tdopers.py

              • tdopers.pyc

              • tdopers.pyo

              • units.py

              • units.pyc

              • units.pyo

              • utils.py

              • utils.pyc

              • utils.pyo

            • test

              • Gauss.py

              • Gauss.pyc

              • Gauss.pyo

              • Hubbard_U.py

              • Hubbard_U.pyc

              • Hubbard_U.pyo

              • Hubbard_U_Zn.py

              • Hubbard_U_Zn.pyc

              • Hubbard_U_Zn.pyo

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • aeatom.py

              • aeatom.pyc

              • aeatom.pyo

              • aedensity.py

              • aedensity.pyc

              • aedensity.pyo

              • ase_features

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • ase3k.py

                • ase3k.pyc

                • ase3k.pyo

                • ase3k_version.py

                • ase3k_version.pyc

                • ase3k_version.pyo

                • asewannier.py

                • asewannier.pyc

                • asewannier.pyo

                • neb.py

                • neb.pyc

                • neb.pyo

                • plt.py

                • plt.pyc

                • plt.pyo

                • qmmm.py

                • qmmm.pyc

                • qmmm.pyo

                • wannierk.py

                • wannierk.pyc

                • wannierk.pyo

                • wannierk_lcao.py

                • wannierk_lcao.pyc

                • wannierk_lcao.pyo

              • atoms_mismatch.py

              • atoms_mismatch.pyc

              • atoms_mismatch.pyo

              • atoms_too_close.py

              • atoms_too_close.pyc

              • atoms_too_close.pyo

              • beef.py

              • beef.pyc

              • beef.pyo

              • big

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • agts.py

                • agts.pyc

                • agts.pyo

                • analysis.py

                • analysis.pyc

                • analysis.pyo

                • dcdft

                  • __init__.py

                  • __init__.pyc

                  • __init__.pyo

                  • analyse.py

                  • analyse.pyc

                  • analyse.pyo

                  • pbe_abinit_fhi.py

                  • pbe_abinit_fhi.pyc

                  • pbe_abinit_fhi.pyo

                  • pbe_abinit_hgh.agts.py

                  • pbe_abinit_hgh.agts.pyc

                  • pbe_abinit_hgh.agts.pyo

                  • pbe_abinit_hgh.py

                  • pbe_abinit_hgh.pyc

                  • pbe_abinit_hgh.pyo

                  • pbe_abinit_paw.agts.py

                  • pbe_abinit_paw.agts.pyc

                  • pbe_abinit_paw.agts.pyo

                  • pbe_abinit_paw.py

                  • pbe_abinit_paw.pyc

                  • pbe_abinit_paw.pyo

                  • pbe_aims.agts.py

                  • pbe_aims.agts.pyc

                  • pbe_aims.agts.pyo

                  • pbe_aims.py

                  • pbe_aims.pyc

                  • pbe_aims.pyo

                  • pbe_gpaw_pw.agts.py

                  • pbe_gpaw_pw.agts.pyc

                  • pbe_gpaw_pw.agts.pyo

                  • pbe_gpaw_pw.py

                  • pbe_gpaw_pw.pyc

                  • pbe_gpaw_pw.pyo

                  • pbe_gpaw_pw_verify.py

                  • pbe_gpaw_pw_verify.pyc

                  • pbe_gpaw_pw_verify.pyo

                  • pbe_jacapo.agts.py

                  • pbe_jacapo.agts.pyc

                  • pbe_jacapo.agts.pyo

                  • pbe_jacapo.py

                  • pbe_jacapo.pyc

                  • pbe_jacapo.pyo

                • g2_1

                  • __init__.py

                  • __init__.pyc

                  • __init__.pyo

                  • analyse.py

                  • analyse.pyc

                  • analyse.pyo

                  • g21gpaw.py

                  • g21gpaw.pyc

                  • g21gpaw.pyo

                  • g21nwchem.py

                  • g21nwchem.pyc

                  • g21nwchem.pyo

                  • generate.py

                  • generate.pyc

                  • generate.pyo

                  • pbe_gpaw_nrel_plot.py

                  • pbe_gpaw_nrel_plot.pyc

                  • pbe_gpaw_nrel_plot.pyo

                  • submit.agts.py

                  • submit.agts.pyc

                  • submit.agts.pyo

                • gbar.py

                • gbar.pyc

                • gbar.pyo

                • hsk

                  • __init__.py

                  • __init__.pyc

                  • __init__.pyo

                  • hsk.py

                  • hsk.pyc

                  • hsk.pyo

                • kpb

                  • __init__.py

                  • __init__.pyc

                  • __init__.pyo

                  • check.py

                  • check.pyc

                  • check.pyo

                  • molecules.py

                  • molecules.pyc

                  • molecules.pyo

                  • submit.agts.py

                  • submit.agts.pyc

                  • submit.agts.pyo

                • niflheim.py

                • niflheim.pyc

                • niflheim.pyo

                • scf

                  • __init__.py

                  • __init__.pyc

                  • __init__.pyo

                  • analyse.py

                  • analyse.pyc

                  • analyse.pyo

                  • dcdft_pbe_pw.agts.py

                  • dcdft_pbe_pw.agts.pyc

                  • dcdft_pbe_pw.agts.pyo

                  • dcdft_pbe_pw.py

                  • dcdft_pbe_pw.pyc

                  • dcdft_pbe_pw.pyo

                  • dcdft_pbe_pw_jacapo.py

                  • dcdft_pbe_pw_jacapo.pyc

                  • dcdft_pbe_pw_jacapo.pyo

                  • g2_1_pbe0_fd.agts.py

                  • g2_1_pbe0_fd.agts.pyc

                  • g2_1_pbe0_fd.agts.pyo

                  • g2_1_pbe0_fd.py

                  • g2_1_pbe0_fd.pyc

                  • g2_1_pbe0_fd.pyo

                • setups

                  • __init__.py

                  • __init__.pyc

                  • __init__.pyo

              • broydenmixer.py

              • broydenmixer.pyc

              • broydenmixer.pyo

              • cdft.py

              • cdft.pyc

              • cdft.pyo

              • cluster.py

              • cluster.pyc

              • cluster.pyo

              • complex.py

              • complex.pyc

              • complex.pyo

              • coreeig.py

              • coreeig.pyc

              • coreeig.pyo

              • corehole

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • h2o.py

                • h2o.pyc

                • h2o.pyo

                • h2o_dks.py

                • h2o_dks.pyc

                • h2o_dks.pyo

                • h2o_recursion.py

                • h2o_recursion.pyc

                • h2o_recursion.pyo

                • si.py

                • si.pyc

                • si.pyo

                • si_nonortho.py

                • si_nonortho.pyc

                • si_nonortho.pyo

              • coulomb.py

              • coulomb.pyc

              • coulomb.pyo

              • dipole.py

              • dipole.pyc

              • dipole.pyo

              • ds_beta.py

              • ds_beta.pyc

              • ds_beta.pyo

              • dscf

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • dscf_forces.py

                • dscf_forces.pyc

                • dscf_forces.pyo

                • dscf_lcao.py

                • dscf_lcao.pyc

                • dscf_lcao.pyo

              • eigen

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • blocked_rmm_diis.py

                • blocked_rmm_diis.pyc

                • blocked_rmm_diis.pyo

                • cg.py

                • cg.pyc

                • cg.pyo

                • cg2.py

                • cg2.pyc

                • cg2.pyo

                • davidson.py

                • davidson.pyc

                • davidson.pyo

                • keep_htpsit.py

                • keep_htpsit.pyc

                • keep_htpsit.pyo

              • ext_potential

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • constant_e_field.py

                • constant_e_field.pyc

                • constant_e_field.pyo

                • external.py

                • external.pyc

                • external.pyo

                • harmonic.py

                • harmonic.pyc

                • harmonic.pyo

                • point_charge.py

                • point_charge.pyc

                • point_charge.pyo

                • stark_shift.py

                • stark_shift.pyc

                • stark_shift.pyo

              • exx

                • AA_enthalpy.py

                • AA_enthalpy.pyc

                • AA_enthalpy.pyo

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • coarse.py

                • coarse.pyc

                • coarse.pyo

                • exx.py

                • exx.pyc

                • exx.pyo

                • unocc.py

                • unocc.pyc

                • unocc.pyo

              • fd_ops

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • gd.py

                • gd.pyc

                • gd.pyo

                • gradient.py

                • gradient.pyc

                • gradient.pyo

                • laplace.py

                • laplace.pyc

                • laplace.pyo

                • nabla.py

                • nabla.pyc

                • nabla.pyo

                • non_periodic.py

                • non_periodic.pyc

                • non_periodic.pyo

                • transformations.py

                • transformations.pyc

                • transformations.pyo

              • fdtd

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • ed.py

                • ed.pyc

                • ed.pyo

                • ed_inducedfield.py

                • ed_inducedfield.pyc

                • ed_inducedfield.pyo

                • ed_shapes.py

                • ed_shapes.pyc

                • ed_shapes.pyo

                • ed_wrapper.py

                • ed_wrapper.pyc

                • ed_wrapper.pyo

              • fermilevel.py

              • fermilevel.pyc

              • fermilevel.pyo

              • fermisplit.py

              • fermisplit.pyc

              • fermisplit.pyo

              • fileio

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • file_reference.py

                • file_reference.pyc

                • file_reference.pyo

                • idiotproof_setup.py

                • idiotproof_setup.pyc

                • idiotproof_setup.pyo

                • parallel.py

                • parallel.pyc

                • parallel.pyo

                • refine.py

                • refine.pyc

                • refine.pyo

                • restart.py

                • restart.pyc

                • restart.pyo

                • restart_density.py

                • restart_density.pyc

                • restart_density.pyo

                • wfs_auto.py

                • wfs_auto.pyc

                • wfs_auto.pyo

                • wfs_io.py

                • wfs_io.pyc

                • wfs_io.pyo

              • fixdensity.py

              • fixdensity.pyc

              • fixdensity.pyo

              • fixmom.py

              • fixmom.pyc

              • fixmom.pyo

              • fixocc.py

              • fixocc.pyc

              • fixocc.pyo

              • force_as_stop.py

              • force_as_stop.pyc

              • force_as_stop.pyo

              • gauss_func.py

              • gauss_func.pyc

              • gauss_func.pyo

              • gauss_wave.py

              • gauss_wave.pyc

              • gauss_wave.pyo

              • generic

                • 2Al.py

                • 2Al.pyc

                • 2Al.pyo

                • 8Si.py

                • 8Si.pyc

                • 8Si.pyo

                • Cl_minus.py

                • Cl_minus.pyc

                • Cl_minus.pyo

                • Cu.py

                • Cu.pyc

                • Cu.pyo

                • H_force.py

                • H_force.pyc

                • H_force.pyo

                • IP_oxygen.py

                • IP_oxygen.pyc

                • IP_oxygen.pyo

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • al_chain.py

                • al_chain.pyc

                • al_chain.pyo

                • asym_box.py

                • asym_box.pyc

                • asym_box.pyo

                • bulk.py

                • bulk.pyc

                • bulk.pyo

                • colinear.py

                • colinear.pyc

                • colinear.pyo

                • guc_force.py

                • guc_force.pyc

                • guc_force.pyo

                • hydrogen.py

                • hydrogen.pyc

                • hydrogen.pyo

                • mixer.py

                • mixer.pyc

                • mixer.pyo

                • proton.py

                • proton.pyc

                • proton.pyo

                • relax.py

                • relax.pyc

                • relax.pyo

                • si.py

                • si.pyc

                • si.pyo

                • si_primitive.py

                • si_primitive.pyc

                • si_primitive.pyo

              • gllb

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • atomic.py

                • atomic.pyc

                • atomic.pyo

                • diamond.py

                • diamond.pyc

                • diamond.pyo

                • ne.py

                • ne.pyc

                • ne.pyo

                • ne_disc.py

                • ne_disc.pyc

                • ne_disc.pyo

                • restart_band_structure.py

                • restart_band_structure.pyc

                • restart_band_structure.pyo

                • spin.py

                • spin.pyc

                • spin.pyo

              • inducedfield_lrtddft.py

              • inducedfield_lrtddft.pyc

              • inducedfield_lrtddft.pyo

              • inducedfield_td.py

              • inducedfield_td.pyc

              • inducedfield_td.pyo

              • jellium.py

              • jellium.pyc

              • jellium.pyo

              • kpt.py

              • kpt.pyc

              • kpt.pyo

              • lcao

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • atomic_corrections.py

                • atomic_corrections.pyc

                • atomic_corrections.pyo

                • bsse.py

                • bsse.pyc

                • bsse.pyo

                • bulk.py

                • bulk.pyc

                • bulk.pyo

                • density.py

                • density.pyc

                • density.pyo

                • dos.py

                • dos.pyc

                • dos.pyo

                • fd2lcao_restart.py

                • fd2lcao_restart.pyc

                • fd2lcao_restart.pyo

                • force.py

                • force.pyc

                • force.pyo

                • gllb_si.py

                • gllb_si.pyc

                • gllb_si.pyo

                • h2o.py

                • h2o.pyc

                • h2o.pyo

                • largecellforce.py

                • largecellforce.pyc

                • largecellforce.pyo

                • pair_and_coulomb.py

                • pair_and_coulomb.pyc

                • pair_and_coulomb.pyo

                • restart.py

                • restart.pyc

                • restart.pyo

                • tddft.py

                • tddft.pyc

                • tddft.pyo

                • tddft_restart.py

                • tddft_restart.pyc

                • tddft_restart.pyo

                • tdgllbsc.py

                • tdgllbsc.pyc

                • tdgllbsc.pyo

              • lfc

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • derivatives.py

                • derivatives.pyc

                • derivatives.pyo

                • gp2.py

                • gp2.pyc

                • gp2.pyo

                • lf.py

                • lf.pyc

                • lf.pyo

                • second_derivative.py

                • second_derivative.pyc

                • second_derivative.pyo

              • linalg

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • blas.py

                • blas.pyc

                • blas.pyo

                • diag_perf.py

                • diag_perf.pyc

                • diag_perf.pyo

                • dot.py

                • dot.pyc

                • dot.pyo

                • eigh.py

                • eigh.pyc

                • eigh.pyo

                • eigh_perf.py

                • eigh_perf.pyc

                • eigh_perf.pyo

                • gemm.py

                • gemm.pyc

                • gemm.pyo

                • gemm_complex.py

                • gemm_complex.pyc

                • gemm_complex.pyo

                • gemv.py

                • gemv.pyc

                • gemv.pyo

                • lapack.py

                • lapack.pyc

                • lapack.pyo

                • mmm.py

                • mmm.pyc

                • mmm.pyo

                • zher.py

                • zher.pyc

                • zher.pyo

              • lrtddft

                • 1.py

                • 1.pyc

                • 1.pyo

                • 2.py

                • 2.pyc

                • 2.pyo

                • 3.py

                • 3.pyc

                • 3.pyo

                • Al2_lrtddft.py

                • Al2_lrtddft.pyc

                • Al2_lrtddft.pyo

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • apmb.py

                • apmb.pyc

                • apmb.pyo

                • d2Excdn2.py

                • d2Excdn2.pyc

                • d2Excdn2.pyo

                • excited_state.py

                • excited_state.pyc

                • excited_state.pyo

                • kssingles_Be.py

                • kssingles_Be.pyc

                • kssingles_Be.pyo

                • pes.py

                • pes.pyc

                • pes.pyo

                • rraman.py

                • rraman.pyc

                • rraman.pyo

              • maths

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • erf.py

                • erf.pyc

                • erf.pyo

                • fftw.py

                • fftw.pyc

                • fftw.pyo

                • fsbt.py

                • fsbt.pyc

                • fsbt.pyo

              • mgga

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • mgga_restart.py

                • mgga_restart.pyc

                • mgga_restart.pyo

                • mgga_sc.py

                • mgga_sc.pyc

                • mgga_sc.pyo

                • nsc_MGGA.py

                • nsc_MGGA.pyc

                • nsc_MGGA.pyo

              • mpicomm.py

              • mpicomm.pyc

              • mpicomm.pyo

              • muffintinpot.py

              • muffintinpot.pyc

              • muffintinpot.pyo

              • multipoleH2O.py

              • multipoleH2O.pyc

              • multipoleH2O.pyo

              • multipoletest.py

              • multipoletest.pyc

              • multipoletest.pyo

              • numpy_test.py

              • numpy_test.pyc

              • numpy_test.pyo

              • observer.py

              • observer.pyc

              • observer.pyo

              • occupations.py

              • occupations.pyc

              • occupations.pyo

              • ofdft

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • ofdft.py

                • ofdft.pyc

                • ofdft.pyo

                • ofdft_pbc.py

                • ofdft_pbc.pyc

                • ofdft_pbc.pyo

                • ofdft_scale.py

                • ofdft_scale.pyc

                • ofdft_scale.pyo

              • parallel

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • arraydict_redist.py

                • arraydict_redist.pyc

                • arraydict_redist.pyo

                • augment_grid.py

                • augment_grid.pyc

                • augment_grid.pyo

                • blacsdist.py

                • blacsdist.pyc

                • blacsdist.pyo

                • compare.py

                • compare.pyc

                • compare.pyo

                • diamond_gllb.py

                • diamond_gllb.pyc

                • diamond_gllb.pyo

                • fd_parallel.py

                • fd_parallel.pyc

                • fd_parallel.pyo

                • fd_parallel_kpt.py

                • fd_parallel_kpt.pyc

                • fd_parallel_kpt.pyo

                • hamiltonian.py

                • hamiltonian.pyc

                • hamiltonian.pyo

                • kptpar.py

                • kptpar.pyc

                • kptpar.pyo

                • lcao_complicated.py

                • lcao_complicated.pyc

                • lcao_complicated.pyo

                • lcao_hamiltonian.py

                • lcao_hamiltonian.pyc

                • lcao_hamiltonian.pyo

                • lcao_parallel.py

                • lcao_parallel.pyc

                • lcao_parallel.pyo

                • lcao_parallel_kpt.py

                • lcao_parallel_kpt.pyc

                • lcao_parallel_kpt.pyo

                • lcao_projections.py

                • lcao_projections.pyc

                • lcao_projections.pyo

                • overlap.py

                • overlap.pyc

                • overlap.pyo

                • parallel_eigh.py

                • parallel_eigh.pyc

                • parallel_eigh.pyo

                • pblas.py

                • pblas.pyc

                • pblas.pyo

                • realspace_blacs.py

                • realspace_blacs.pyc

                • realspace_blacs.pyo

                • redistribute_grid.py

                • redistribute_grid.pyc

                • redistribute_grid.pyo

                • scalapack.py

                • scalapack.pyc

                • scalapack.pyo

                • scalapack_diag.py

                • scalapack_diag.pyc

                • scalapack_diag.pyo

                • scalapack_diag_simple.py

                • scalapack_diag_simple.pyc

                • scalapack_diag_simple.pyo

                • scalapack_mpirecv_crash.py

                • scalapack_mpirecv_crash.pyc

                • scalapack_mpirecv_crash.pyo

                • scalapack_pdlasrt_hang.py

                • scalapack_pdlasrt_hang.pyc

                • scalapack_pdlasrt_hang.pyo

                • submatrix_redist.py

                • submatrix_redist.pyc

                • submatrix_redist.pyo

                • ut_invops.py

                • ut_invops.pyc

                • ut_invops.pyo

                • ut_parallel.py

                • ut_parallel.pyc

                • ut_parallel.pyo

              • parunittest.py

              • parunittest.pyc

              • parunittest.pyo

              • pathological

                • LDA_unstable.py

                • LDA_unstable.pyc

                • LDA_unstable.pyo

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • nonlocalset.py

                • nonlocalset.pyc

                • nonlocalset.pyo

                • numpy_core_multiarray_dot.py

                • numpy_core_multiarray_dot.pyc

                • numpy_core_multiarray_dot.pyo

                • numpy_zdotc_graphite.py

                • numpy_zdotc_graphite.pyc

                • numpy_zdotc_graphite.pyo

              • pbc.py

              • pbc.pyc

              • pbc.pyo

              • poisson

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • poisson.py

                • poisson.pyc

                • poisson.pyo

                • poisson_asym.py

                • poisson_asym.pyc

                • poisson_asym.pyo

                • poisson_extended.py

                • poisson_extended.pyc

                • poisson_extended.pyo

                • screened_poisson.py

                • screened_poisson.pyc

                • screened_poisson.pyo

              • potential.py

              • potential.pyc

              • potential.pyo

              • pseudopotential

                • H_sg15.py

                • H_sg15.pyc

                • H_sg15.pyo

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • ah.py

                • ah.pyc

                • ah.pyo

                • atompaw.py

                • atompaw.pyc

                • atompaw.pyo

                • hgh_h2o.py

                • hgh_h2o.pyc

                • hgh_h2o.pyo

                • sg15_hydrogen.py

                • sg15_hydrogen.pyc

                • sg15_hydrogen.pyo

                • upf_h2o.py

                • upf_h2o.pyc

                • upf_h2o.pyo

              • pw

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • bulk.py

                • bulk.pyc

                • bulk.pyo

                • davidson_pw.py

                • davidson_pw.pyc

                • davidson_pw.pyo

                • expert_diag.py

                • expert_diag.pyc

                • expert_diag.pyo

                • fftmixer.py

                • fftmixer.pyc

                • fftmixer.pyo

                • fulldiag.py

                • fulldiag.pyc

                • fulldiag.pyo

                • fulldiagk.py

                • fulldiagk.pyc

                • fulldiagk.pyo

                • h.py

                • h.pyc

                • h.pyo

                • interpol.py

                • interpol.pyc

                • interpol.pyo

                • lfc.py

                • lfc.pyc

                • lfc.pyo

                • moleculecg.py

                • moleculecg.pyc

                • moleculecg.pyo

                • reallfc.py

                • reallfc.pyc

                • reallfc.pyo

                • si_stress.py

                • si_stress.pyc

                • si_stress.pyo

                • slab.py

                • slab.pyc

                • slab.pyo

                • stresstest.py

                • stresstest.pyc

                • stresstest.pyo

              • radial

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • integral4.py

                • integral4.pyc

                • integral4.pyo

                • lebedev.py

                • lebedev.pyc

                • lebedev.pyo

                • two_phi_plw_integrals.py

                • two_phi_plw_integrals.pyc

                • two_phi_plw_integrals.pyo

                • ylexpand.py

                • ylexpand.pyc

                • ylexpand.pyo

                • yukawa_radial.py

                • yukawa_radial.pyc

                • yukawa_radial.pyo

              • ralda

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • ralda_C6_He.py

                • ralda_C6_He.pyc

                • ralda_C6_He.pyo

                • ralda_energy_H2.py

                • ralda_energy_H2.pyc

                • ralda_energy_H2.pyo

                • ralda_energy_N2.py

                • ralda_energy_N2.pyc

                • ralda_energy_N2.pyo

                • ralda_energy_Ni.py

                • ralda_energy_Ni.pyc

                • ralda_energy_Ni.pyo

                • ralda_energy_Si.py

                • ralda_energy_Si.pyc

                • ralda_energy_Si.pyo

              • reorder_tests.py

              • reorder_tests.pyc

              • reorder_tests.pyo

              • response

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • aluminum_EELS_ALDA.py

                • aluminum_EELS_ALDA.pyc

                • aluminum_EELS_ALDA.pyo

                • aluminum_EELS_RPA.py

                • aluminum_EELS_RPA.pyc

                • aluminum_EELS_RPA.pyo

                • au02_absorption.py

                • au02_absorption.pyc

                • au02_absorption.pyo

                • bse_MoS2_cut.py

                • bse_MoS2_cut.pyc

                • bse_MoS2_cut.pyo

                • bse_aluminum.py

                • bse_aluminum.pyc

                • bse_aluminum.pyo

                • bse_silicon.py

                • bse_silicon.pyc

                • bse_silicon.pyo

                • chi0.py

                • chi0.pyc

                • chi0.pyo

                • df_block_par_test_na_plasmons.py

                • df_block_par_test_na_plasmons.pyc

                • df_block_par_test_na_plasmons.pyo

                • diamond_absorption.py

                • diamond_absorption.pyc

                • diamond_absorption.pyo

                • graphene.py

                • graphene.pyc

                • graphene.pyo

                • graphene_EELS.py

                • graphene_EELS.pyc

                • graphene_EELS.pyo

                • gw0_hBN.py

                • gw0_hBN.pyc

                • gw0_hBN.pyo

                • gw_MoS2_cut.py

                • gw_MoS2_cut.pyc

                • gw_MoS2_cut.pyo

                • gw_hBN_extrapolate.py

                • gw_hBN_extrapolate.pyc

                • gw_hBN_extrapolate.pyo

                • gwsi.py

                • gwsi.pyc

                • gwsi.pyo

                • hyd_chain_response.py

                • hyd_chain_response.pyc

                • hyd_chain_response.pyo

                • na_plasmon.py

                • na_plasmon.pyc

                • na_plasmon.pyo

                • pair.py

                • pair.pyc

                • pair.pyo

                • symmetry.py

                • symmetry.pyc

                • symmetry.pyo

              • rpa

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • rpa_C6_He.py

                • rpa_C6_He.pyc

                • rpa_C6_He.pyo

                • rpa_energy_N2.py

                • rpa_energy_N2.pyc

                • rpa_energy_N2.pyo

                • rpa_energy_Na.py

                • rpa_energy_Na.pyc

                • rpa_energy_Na.pyo

                • rpa_energy_Ni.py

                • rpa_energy_Ni.pyc

                • rpa_energy_Ni.pyo

                • rpa_energy_Si.py

                • rpa_energy_Si.pyc

                • rpa_energy_Si.pyo

              • scipy_test.py

              • scipy_test.pyc

              • scipy_test.pyo

              • setup_basis_spec.py

              • setup_basis_spec.pyc

              • setup_basis_spec.pyo

              • setup_derivatives.py

              • setup_derivatives.pyc

              • setup_derivatives.pyo

              • sic

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • nscfsic.py

                • nscfsic.pyc

                • nscfsic.pyo

                • scfsic_h2.py

                • scfsic_h2.pyc

                • scfsic_h2.pyo

                • scfsic_n2.py

                • scfsic_n2.pyc

                • scfsic_n2.pyo

              • solvation

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • adm12.py

                • adm12.pyc

                • adm12.pyo

                • forces.py

                • forces.pyc

                • forces.pyo

                • forces_symmetry.py

                • forces_symmetry.pyc

                • forces_symmetry.pyo

                • pbc.py

                • pbc.pyc

                • pbc.pyo

                • pbc_pos_repeat.py

                • pbc_pos_repeat.pyc

                • pbc_pos_repeat.pyo

                • poisson.py

                • poisson.pyc

                • poisson.pyo

                • sfgcm06.py

                • sfgcm06.pyc

                • sfgcm06.pyo

                • solvation_api.py

                • solvation_api.pyc

                • solvation_api.pyo

                • spinpol.py

                • spinpol.pyc

                • spinpol.pyo

                • sss09.py

                • sss09.pyc

                • sss09.pyo

                • swap_atoms.py

                • swap_atoms.pyc

                • swap_atoms.pyo

                • vacuum.py

                • vacuum.pyc

                • vacuum.pyo

                • water_water.py

                • water_water.pyc

                • water_water.pyo

              • spectrum.py

              • spectrum.pyc

              • spectrum.pyo

              • spin

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • spinFe3plus.py

                • spinFe3plus.pyc

                • spinFe3plus.pyo

                • spin_contamination.py

                • spin_contamination.pyc

                • spin_contamination.pyo

                • spinpol.py

                • spinpol.pyc

                • spinpol.pyo

              • spinorbit_Kr.py

              • spinorbit_Kr.pyc

              • spinorbit_Kr.pyo

              • stdout.py

              • stdout.pyc

              • stdout.pyo

              • symmetry

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • band_symmetries.py

                • band_symmetries.pyc

                • band_symmetries.pyo

                • check.py

                • check.pyc

                • check.pyo

                • fractional_translations.py

                • fractional_translations.pyc

                • fractional_translations.pyo

                • fractional_translations_big.py

                • fractional_translations_big.pyc

                • fractional_translations_big.pyo

                • fractional_translations_med.py

                • fractional_translations_med.pyc

                • fractional_translations_med.pyo

                • symmetry.py

                • symmetry.pyc

                • symmetry.pyo

                • symmetry_ft.py

                • symmetry_ft.pyc

                • symmetry_ft.pyo

                • usesymm.py

                • usesymm.pyc

                • usesymm.pyo

                • usesymm2.py

                • usesymm2.pyc

                • usesymm2.pyo

              • tddft

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • be_nltd_ip.py

                • be_nltd_ip.pyc

                • be_nltd_ip.pyo

                • ehrenfest_nacl.py

                • ehrenfest_nacl.pyc

                • ehrenfest_nacl.pyo

                • td_na2.py

                • td_na2.pyc

                • td_na2.pyo

              • test.py

              • test.pyc

              • test.pyo

              • test_ibzqpt.py

              • test_ibzqpt.pyc

              • test_ibzqpt.pyo

              • timing.py

              • timing.pyc

              • timing.pyo

              • tpss.py

              • tpss.pyc

              • tpss.pyo

              • ut_common.py

              • ut_common.pyc

              • ut_common.pyo

              • ut_tddft.py

              • ut_tddft.pyc

              • ut_tddft.pyo

              • utilities

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • eed.py

                • eed.pyc

                • eed.pyo

                • elf.py

                • elf.pyc

                • elf.pyo

                • ewald.py

                • ewald.pyc

                • ewald.pyo

                • ldos.py

                • ldos.pyc

                • ldos.pyo

                • partitioning.py

                • partitioning.pyc

                • partitioning.pyo

                • simple_stm.py

                • simple_stm.pyc

                • simple_stm.pyo

                • wannier_ethylene.py

                • wannier_ethylene.pyc

                • wannier_ethylene.pyo

              • vdw

                • H_Hirshfeld.py

                • H_Hirshfeld.pyc

                • H_Hirshfeld.pyo

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • ar2.py

                • ar2.pyc

                • ar2.pyo

                • libvdwxc_functionals.py

                • libvdwxc_functionals.pyc

                • libvdwxc_functionals.pyo

                • libvdwxc_h2o.py

                • libvdwxc_h2o.pyc

                • libvdwxc_h2o.pyo

                • libvdwxc_mbeef.py

                • libvdwxc_mbeef.pyc

                • libvdwxc_mbeef.pyo

                • potential.py

                • potential.pyc

                • potential.pyo

                • quick.py

                • quick.pyc

                • quick.pyo

                • quick_spin.py

                • quick_spin.pyc

                • quick_spin.pyo

                • ts09.py

                • ts09.pyc

                • ts09.pyo

              • vdwradii.py

              • vdwradii.pyc

              • vdwradii.pyo

              • xc

                • XC2.py

                • XC2.pyc

                • XC2.pyo

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • atomize.py

                • atomize.pyc

                • atomize.pyo

                • degeneracy.py

                • degeneracy.pyc

                • degeneracy.pyo

                • gga_atom.py

                • gga_atom.pyc

                • gga_atom.pyo

                • lb94.py

                • lb94.pyc

                • lb94.pyo

                • lxc_fxc.py

                • lxc_fxc.pyc

                • lxc_fxc.pyo

                • lxc_xcatom.py

                • lxc_xcatom.pyc

                • lxc_xcatom.pyo

                • nonselfconsistent.py

                • nonselfconsistent.pyc

                • nonselfconsistent.pyo

                • nonselfconsistentLDA.py

                • nonselfconsistentLDA.pyc

                • nonselfconsistentLDA.pyo

                • pbe_pw91.py

                • pbe_pw91.pyc

                • pbe_pw91.pyo

                • pplda.py

                • pplda.pyc

                • pplda.pyo

                • pygga.py

                • pygga.pyc

                • pygga.pyo

                • revPBE.py

                • revPBE.pyc

                • revPBE.pyo

                • revPBE_Li.py

                • revPBE_Li.pyc

                • revPBE_Li.pyo

                • xc.py

                • xc.pyc

                • xc.pyo

                • xcatom.py

                • xcatom.pyc

                • xcatom.pyo

            • transformers.py

            • transformers.pyc

            • transformers.pyo

            • unfold.py

            • unfold.pyc

            • unfold.pyo

            • upf.py

            • upf.pyc

            • upf.pyo

            • utilities

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • blas.py

              • blas.pyc

              • blas.pyo

              • build_web_page.py

              • build_web_page.pyc

              • build_web_page.pyo

              • cg.py

              • cg.pyc

              • cg.pyo

              • dos.py

              • dos.pyc

              • dos.pyo

              • dscftools.py

              • dscftools.pyc

              • dscftools.pyo

              • ewald.py

              • ewald.pyc

              • ewald.pyo

              • extend_grid.py

              • extend_grid.pyc

              • extend_grid.pyo

              • folder.py

              • folder.pyc

              • folder.pyo

              • gauss.py

              • gauss.pyc

              • gauss.pyo

              • gl_quadrature.py

              • gl_quadrature.pyc

              • gl_quadrature.pyo

              • gpts.py

              • gpts.pyc

              • gpts.pyo

              • grid.py

              • grid.pyc

              • grid.pyo

              • grid_redistribute.py

              • grid_redistribute.pyc

              • grid_redistribute.pyo

              • hardware.py

              • hardware.pyc

              • hardware.pyo

              • hilbert.py

              • hilbert.pyc

              • hilbert.pyo

              • kspot.py

              • kspot.pyc

              • kspot.pyo

              • kwargs.py

              • kwargs.pyc

              • kwargs.pyo

              • lapack.py

              • lapack.pyc

              • lapack.pyo

              • memory.py

              • memory.pyc

              • memory.pyo

              • partition.py

              • partition.pyc

              • partition.pyo

              • progressbar.py

              • progressbar.pyc

              • progressbar.pyo

              • ps2ae.py

              • ps2ae.pyc

              • ps2ae.pyo

              • py3test.py

              • py3test.pyc

              • py3test.pyo

              • scalapack.py

              • scalapack.pyc

              • scalapack.pyo

              • sic.py

              • sic.pyc

              • sic.pyo

              • timing.py

              • timing.pyc

              • timing.pyo

              • tools.py

              • tools.pyc

              • tools.pyo

              • viewmol.py

              • viewmol.pyc

              • viewmol.pyo

            • wannier.py

            • wannier.pyc

            • wannier.pyo

            • wannier90.py

            • wannier90.pyc

            • wannier90.pyo

            • wavefunctions

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • base.py

              • base.pyc

              • base.pyo

              • fd.py

              • fd.pyc

              • fd.pyo

              • fdpw.py

              • fdpw.pyc

              • fdpw.pyo

              • lcao.py

              • lcao.pyc

              • lcao.pyo

              • mode.py

              • mode.pyc

              • mode.pyo

              • pw.py

              • pw.pyc

              • pw.pyo

            • wfd_operators.py

            • wfd_operators.pyc

            • wfd_operators.pyo

            • xas.py

            • xas.pyc

            • xas.pyo

            • xc

              • __init__.py

              • __init__.pyc

              • __init__.pyo

              • bee.py

              • bee.pyc

              • bee.pyo

              • exx.py

              • exx.pyc

              • exx.pyo

              • functional.py

              • functional.pyc

              • functional.pyo

              • fxc.py

              • fxc.pyc

              • fxc.pyo

              • gga.py

              • gga.pyc

              • gga.pyo

              • gllb

                • __init__.py

                • __init__.pyc

                • __init__.pyo

                • c_gllbscr.py

                • c_gllbscr.pyc

                • c_gllbscr.pyo

                • c_response.py

                • c_response.pyc

                • c_response.pyo

                • c_xc.py

                • c_xc.pyc

                • c_xc.pyo

                • contribution.py

                • contribution.pyc

                • contribution.pyo

                • nonlocalfunctional.py

                • nonlocalfunctional.pyc

                • nonlocalfunctional.pyo

                • nonlocalfunctionalfactory.py

                • nonlocalfunctionalfactory.pyc

                • nonlocalfunctionalfactory.pyo

              • hybrid.py

              • hybrid.pyc

              • hybrid.pyo

              • kernel.py

              • kernel.pyc

              • kernel.pyo

              • lb94.py

              • lb94.pyc

              • lb94.pyo

              • lda.py

              • lda.pyc

              • lda.pyo

              • libvdwxc.py

              • libvdwxc.pyc

              • libvdwxc.pyo

              • libxc.py

              • libxc.pyc

              • libxc.pyo

              • mgga.py

              • mgga.pyc

              • mgga.pyo

              • parametrizedxc.py

              • parametrizedxc.pyc

              • parametrizedxc.pyo

              • pawcorrection.py

              • pawcorrection.pyc

              • pawcorrection.pyo

              • rpa.py

              • rpa.pyc

              • rpa.pyo

              • sic.py

              • sic.pyc

              • sic.pyo

              • tb09.py

              • tb09.pyc

              • tb09.pyo

              • tools.py

              • tools.pyc

              • tools.pyo

              • vdw.py

              • vdw.pyc

              • vdw.pyo

          • gpaw-1.2.0-py2.7.egg-info