CHANGELOG.rst
LICENSE
MANIFEST.in
README.rst
TODO.rst
setup.cfg
setup.py
abipy/__init__.py
abipy/abilab.py
abipy/rest.py
abipy.egg-info/PKG-INFO
abipy.egg-info/SOURCES.txt
abipy.egg-info/dependency_links.txt
abipy.egg-info/requires.txt
abipy.egg-info/top_level.txt
abipy/abio/__init__.py
abipy/abio/abivars.py
abipy/abio/abivars_db.py
abipy/abio/decorators.py
abipy/abio/enums.py
abipy/abio/factories.py
abipy/abio/input_tags.py
abipy/abio/inputs.py
abipy/abio/n1000multiples_primes.json
abipy/abio/outputs.py
abipy/abio/robots.py
abipy/abio/timer.py
abipy/abio/variable.py
abipy/abio/abivar_database/__init__.py
abipy/abio/abivar_database/variables.py
abipy/abio/abivar_database/variables_abinit.py
abipy/abio/abivar_database/variables_aim.py
abipy/abio/abivar_database/variables_anaddb.py
abipy/abio/abivar_database/variables_multibinit.py
abipy/abio/abivar_database/variables_optic.py
abipy/benchmarks/__init__.py
abipy/benchmarks/_dfpt_phonon_tio2.py
abipy/benchmarks/_runemall.py
abipy/benchmarks/_string5.py
abipy/benchmarks/bse_haydock.py
abipy/benchmarks/dfpt_autoparal_phonon.py
abipy/benchmarks/dfpt_ddk.py
abipy/benchmarks/dfpt_phonon.py
abipy/benchmarks/eph_al.py
abipy/benchmarks/gs_au108.py
abipy/benchmarks/gs_autoparal.py
abipy/benchmarks/gs_febio3.py
abipy/benchmarks/gs_istwfk.py
abipy/benchmarks/gs_kpara.py
abipy/benchmarks/gs_mpifft.py
abipy/benchmarks/gs_paralkgb.py
abipy/benchmarks/gs_pureomp.py
abipy/benchmarks/gs_ti256.py
abipy/benchmarks/gs_uo2.py
abipy/benchmarks/gs_useylm.py
abipy/benchmarks/gsio_paralkgb.py
abipy/benchmarks/moldyn1.py
abipy/benchmarks/moldyn5.py
abipy/benchmarks/rpa_optic.py
abipy/benchmarks/scr_hilbert.py
abipy/benchmarks/scr_rpa.py
abipy/benchmarks/sigma_cd.py
abipy/benchmarks/sigma_ppm.py
abipy/benchmarks/test_scripts.py
abipy/core/__init__.py
abipy/core/abinit_units.py
abipy/core/atom.py
abipy/core/fields.py
abipy/core/func1d.py
abipy/core/globals.py
abipy/core/gsphere.py
abipy/core/irrepsdb.py
abipy/core/kpoints.py
abipy/core/mesh3d.py
abipy/core/mixins.py
abipy/core/perl.py
abipy/core/release.py
abipy/core/restapi.py
abipy/core/site_symmetries.py
abipy/core/skw.py
abipy/core/structure.py
abipy/core/symmetries.py
abipy/core/testing.py
abipy/data/__init__.py
abipy/data/benchmark_structures.py
abipy/data/gwr_structures.py
abipy/data/nist_database.py
abipy/data/ucells.py
abipy/data/cifs/LLZO_oxi.cif
abipy/data/cifs/LLZO_partial_occ.cif
abipy/data/cifs/NV_center_64_at_sc.cif
abipy/data/cifs/SLA_prim.cif
abipy/data/cifs/SrO_Eu_222.cif
abipy/data/cifs/__init__.py
abipy/data/cifs/al.cif
abipy/data/cifs/gan.cif
abipy/data/cifs/gan2.cif
abipy/data/cifs/mgb2.cif
abipy/data/cifs/si.cif
abipy/data/hgh_pseudos/10ne.8.hgh
abipy/data/hgh_pseudos/11na.1.hgh
abipy/data/hgh_pseudos/11na.9.hgh
abipy/data/hgh_pseudos/12mg.10.hgh
abipy/data/hgh_pseudos/12mg.2.hgh
abipy/data/hgh_pseudos/13al.3.hgh
abipy/data/hgh_pseudos/14si.4.hgh
abipy/data/hgh_pseudos/15p.5.hgh
abipy/data/hgh_pseudos/16s.6.hgh
abipy/data/hgh_pseudos/17cl.7.hgh
abipy/data/hgh_pseudos/18ar.8.hgh
abipy/data/hgh_pseudos/19k.1.hgh
abipy/data/hgh_pseudos/19k.9.hgh
abipy/data/hgh_pseudos/1h.1.hgh
abipy/data/hgh_pseudos/20ca.10.hgh
abipy/data/hgh_pseudos/20ca.2.hgh
abipy/data/hgh_pseudos/21sc.11.hgh
abipy/data/hgh_pseudos/21sc.3.hgh
abipy/data/hgh_pseudos/22ti.12.hgh
abipy/data/hgh_pseudos/22ti.4.hgh
abipy/data/hgh_pseudos/23v.13.hgh
abipy/data/hgh_pseudos/23v.5.hgh
abipy/data/hgh_pseudos/24cr.14.hgh
abipy/data/hgh_pseudos/24cr.6.hgh
abipy/data/hgh_pseudos/25mn.15.hgh
abipy/data/hgh_pseudos/25mn.7.hgh
abipy/data/hgh_pseudos/26fe.16.hgh
abipy/data/hgh_pseudos/26fe.8.hgh
abipy/data/hgh_pseudos/27co.17.hgh
abipy/data/hgh_pseudos/27co.9.hgh
abipy/data/hgh_pseudos/28ni.10.hgh
abipy/data/hgh_pseudos/28ni.18.hgh
abipy/data/hgh_pseudos/29cu.1.hgh
abipy/data/hgh_pseudos/29cu.11.hgh
abipy/data/hgh_pseudos/2he.2.hgh
abipy/data/hgh_pseudos/30zn.12.hgh
abipy/data/hgh_pseudos/30zn.2.hgh
abipy/data/hgh_pseudos/31ga.13.hgh
abipy/data/hgh_pseudos/31ga.3.hgh
abipy/data/hgh_pseudos/32ge.4.hgh
abipy/data/hgh_pseudos/33as.5.hgh
abipy/data/hgh_pseudos/34se.6.hgh
abipy/data/hgh_pseudos/35br.7.hgh
abipy/data/hgh_pseudos/36kr.8.hgh
abipy/data/hgh_pseudos/37rb.1.hgh
abipy/data/hgh_pseudos/37rb.9.hgh
abipy/data/hgh_pseudos/38sr.10.hgh
abipy/data/hgh_pseudos/38sr.2.hgh
abipy/data/hgh_pseudos/39y.11.hgh
abipy/data/hgh_pseudos/39y.3.hgh
abipy/data/hgh_pseudos/3li.1.hgh
abipy/data/hgh_pseudos/3li.3.hgh
abipy/data/hgh_pseudos/40zr.12.hgh
abipy/data/hgh_pseudos/40zr.4.hgh
abipy/data/hgh_pseudos/41nb.13.hgh
abipy/data/hgh_pseudos/41nb.5.hgh
abipy/data/hgh_pseudos/42mo.14.hgh
abipy/data/hgh_pseudos/42mo.6.hgh
abipy/data/hgh_pseudos/43tc.15.hgh
abipy/data/hgh_pseudos/43tc.7.hgh
abipy/data/hgh_pseudos/44ru.16.hgh
abipy/data/hgh_pseudos/44ru.8.hgh
abipy/data/hgh_pseudos/45rh.17.hgh
abipy/data/hgh_pseudos/45rh.9.hgh
abipy/data/hgh_pseudos/46pd.10.hgh
abipy/data/hgh_pseudos/46pd.18.hgh
abipy/data/hgh_pseudos/47ag.1.hgh
abipy/data/hgh_pseudos/47ag.11.hgh
abipy/data/hgh_pseudos/48cd.12.hgh
abipy/data/hgh_pseudos/48cd.2.hgh
abipy/data/hgh_pseudos/49in.13.hgh
abipy/data/hgh_pseudos/49in.3.hgh
abipy/data/hgh_pseudos/4be.2.hgh
abipy/data/hgh_pseudos/4be.4.hgh
abipy/data/hgh_pseudos/50sn.4.hgh
abipy/data/hgh_pseudos/51sb.5.hgh
abipy/data/hgh_pseudos/52te.6.hgh
abipy/data/hgh_pseudos/53i.7.hgh
abipy/data/hgh_pseudos/54xe.8.hgh
abipy/data/hgh_pseudos/55cs.1.hgh
abipy/data/hgh_pseudos/55cs.9.hgh
abipy/data/hgh_pseudos/56ba.10.hgh
abipy/data/hgh_pseudos/56ba.2.hgh
abipy/data/hgh_pseudos/57la.11.hgh
abipy/data/hgh_pseudos/58ce.12.hgh
abipy/data/hgh_pseudos/59pr.13.hgh
abipy/data/hgh_pseudos/5b.3.hgh
abipy/data/hgh_pseudos/60nd.14.hgh
abipy/data/hgh_pseudos/61pm.15.hgh
abipy/data/hgh_pseudos/62sm.16.hgh
abipy/data/hgh_pseudos/63eu.17.hgh
abipy/data/hgh_pseudos/64gd.18.hgh
abipy/data/hgh_pseudos/65tb.19.hgh
abipy/data/hgh_pseudos/66dy.20.hgh
abipy/data/hgh_pseudos/67ho.21.hgh
abipy/data/hgh_pseudos/68er.22.hgh
abipy/data/hgh_pseudos/69tm.23.hgh
abipy/data/hgh_pseudos/6c.4.hgh
abipy/data/hgh_pseudos/70yb.24.hgh
abipy/data/hgh_pseudos/71lu.25.hgh
abipy/data/hgh_pseudos/72hf.12.hgh
abipy/data/hgh_pseudos/73ta.13.hgh
abipy/data/hgh_pseudos/73ta.5.hgh
abipy/data/hgh_pseudos/74w.14.hgh
abipy/data/hgh_pseudos/74w.6.hgh
abipy/data/hgh_pseudos/75re.15.hgh
abipy/data/hgh_pseudos/75re.7.hgh
abipy/data/hgh_pseudos/76os.16.hgh
abipy/data/hgh_pseudos/76os.8.hgh
abipy/data/hgh_pseudos/77ir.17.hgh
abipy/data/hgh_pseudos/77ir.9.hgh
abipy/data/hgh_pseudos/78pt.10.hgh
abipy/data/hgh_pseudos/78pt.18.hgh
abipy/data/hgh_pseudos/79au.1.hgh
abipy/data/hgh_pseudos/79au.11.hgh
abipy/data/hgh_pseudos/7n.5.hgh
abipy/data/hgh_pseudos/80hg.12.hgh
abipy/data/hgh_pseudos/80hg.2.hgh
abipy/data/hgh_pseudos/81tl.13.hgh
abipy/data/hgh_pseudos/81tl.3.hgh
abipy/data/hgh_pseudos/82pb.4.hgh
abipy/data/hgh_pseudos/83bi.5.hgh
abipy/data/hgh_pseudos/84po.6.hgh
abipy/data/hgh_pseudos/85at.7.hgh
abipy/data/hgh_pseudos/86rn.8.hgh
abipy/data/hgh_pseudos/8o.6.hgh
abipy/data/hgh_pseudos/9f.7.hgh
abipy/data/hgh_pseudos/__init__.py
abipy/data/managers/README.md
abipy/data/managers/__init__.py
abipy/data/managers/dragon1_manager.yml
abipy/data/managers/gh_manager.yml
abipy/data/managers/gh_scheduler.yml
abipy/data/managers/gmac_manager.yml
abipy/data/managers/hercules_manager.yml
abipy/data/managers/hmem_manager.yml
abipy/data/managers/juqueen_manager.yml
abipy/data/managers/jureca_manager.yml
abipy/data/managers/lemaitre2_manager.yml
abipy/data/managers/lemaitre3_manager.yml
abipy/data/managers/lumi_manager.yml
abipy/data/managers/manneback_manager.yml
abipy/data/managers/nic4_manager.yml
abipy/data/managers/nic4_scheduler.yml
abipy/data/managers/shell_manager.yml
abipy/data/managers/shell_nompi_manager.yml
abipy/data/managers/simple_scheduler.yml
abipy/data/managers/ubu_manager.yml
abipy/data/managers/vega_manager.yml
abipy/data/managers/viper_manager.yml
abipy/data/managers/zenobe_manager.yml
abipy/data/mpdata/mp_structures.json
abipy/data/pseudos/0.14-Si.8.density.AE
abipy/data/pseudos/01h.pspgth
abipy/data/pseudos/12mg.pspnc
abipy/data/pseudos/13al.981214.fhi
abipy/data/pseudos/13al.pspnc
abipy/data/pseudos/14si.fhi
abipy/data/pseudos/14si.pspnc
abipy/data/pseudos/15-P.LDA.fhi
abipy/data/pseudos/1h.paw
abipy/data/pseudos/22ti.psp_mod
abipy/data/pseudos/26fe.pspnc
abipy/data/pseudos/28ni.paw
abipy/data/pseudos/31-Ga.LDA.fhi
abipy/data/pseudos/31ga.pspnc
abipy/data/pseudos/33as.pspnc
abipy/data/pseudos/3li.pspnc
abipy/data/pseudos/56ba.psp_mod
abipy/data/pseudos/5b.pspnc
abipy/data/pseudos/6c.lda.atompaw
abipy/data/pseudos/6c.pspnc
abipy/data/pseudos/73ta.hghsc
abipy/data/pseudos/7n.paw
abipy/data/pseudos/7n.pspnc
abipy/data/pseudos/83-Bi.GGA.fhi
abipy/data/pseudos/8o.2.paw
abipy/data/pseudos/8o.psp_mod
abipy/data/pseudos/8o.pspnc
abipy/data/pseudos/8o_hard.paw
abipy/data/pseudos/9f.pspnc
abipy/data/pseudos/Al.GGA_PBE-JTH.xml
abipy/data/pseudos/Al.oncvpsp
abipy/data/pseudos/Al.xml
abipy/data/pseudos/As_r.psp8
abipy/data/pseudos/B.psp8
abipy/data/pseudos/C.oncvpsp
abipy/data/pseudos/C.psp8
abipy/data/pseudos/Ca.psp8
abipy/data/pseudos/Eu.xml
abipy/data/pseudos/Ga-high.oncvpsp
abipy/data/pseudos/Ga-low_r.psp8
abipy/data/pseudos/Ga.oncvpsp
abipy/data/pseudos/Li.xml
abipy/data/pseudos/N.oncvpsp
abipy/data/pseudos/N.psp8
abipy/data/pseudos/N.xml
abipy/data/pseudos/Ni-sp.psp8
abipy/data/pseudos/O.psp8
abipy/data/pseudos/P.psp8
abipy/data/pseudos/Si.GGA_PBE-JTH-paw.xml
abipy/data/pseudos/Si.fc
abipy/data/pseudos/Si.oncvpsp
abipy/data/pseudos/Si_r.psp8
abipy/data/pseudos/Sr.xml
abipy/data/pseudos/Ti-sp.psp8
abipy/data/pseudos/au.paw
abipy/data/pseudos/o.paw
abipy/data/pseudos/ti.paw
abipy/data/pseudos/u.paw
abipy/data/refs/QPSC_SIGRES.nc
abipy/data/refs/__init__.py
abipy/data/refs/_gen_all.py
abipy/data/refs/abinit.log
abipy/data/refs/dryrun.abo
abipy/data/refs/gs_dfpt.abo
abipy/data/refs/h6_FOLD2BLOCH.nc
abipy/data/refs/mg2si_GRUNS.nc
abipy/data/refs/sic_relax_HIST.nc
abipy/data/refs/sio_DS1_TRANSPORT.nc
abipy/data/refs/tgw1_9o_DS4_SIGRES.nc
abipy/data/refs/al_eph/_runflow.py
abipy/data/refs/al_eph/al_161616q_PHDOS.nc
abipy/data/refs/al_eph/al_888k_161616q_A2F.nc
abipy/data/refs/al_eph/al_888k_161616q_vinterp_A2F.nc
abipy/data/refs/al_g0w0_spfunc/al_g0w0_sigmaw_SIGRES.nc
abipy/data/refs/al_g0w0_spfunc/gendata.py
abipy/data/refs/al_g0w0_spfunc/run.abi
abipy/data/refs/al_g0w0_spfunc/run.abo
abipy/data/refs/alas_eph/run_dfpt_pot.py
abipy/data/refs/alas_nl_dfpt/AlAs_nl_dte_DDB
abipy/data/refs/alas_nl_dfpt/AlAs_nl_dte_PHBST.nc
abipy/data/refs/alas_nl_dfpt/AlAs_nl_dte_anaddb.nc
abipy/data/refs/alas_nl_dfpt/run.abi
abipy/data/refs/alas_phonons/alas_anaddb.nc
abipy/data/refs/alas_phonons/gendata.py
abipy/data/refs/alas_phonons/run.abi
abipy/data/refs/alas_phonons/run.abo
abipy/data/refs/alas_phonons/trf2_3_DDB
abipy/data/refs/alas_phonons/trf2_5.out_PHBST.nc
abipy/data/refs/alas_phonons/trf2_5.out_PHDOS.nc
abipy/data/refs/diamond_fullbz_sigeph/_runflow.py
abipy/data/refs/diamond_sigeph/_runflow.py
abipy/data/refs/gaas_optic/_runflow.py
abipy/data/refs/gaas_optic/gaas_121212_OPTIC.nc
abipy/data/refs/gaas_optic/gaas_444_OPTIC.nc
abipy/data/refs/gaas_optic/gaas_888_OPTIC.nc
abipy/data/refs/mgb2_fatbands/gendata.py
abipy/data/refs/mgb2_fatbands/mgb2_kmesh181818_FATBANDS.nc
abipy/data/refs/mgb2_fatbands/mgb2_kpath_FATBANDS.nc
abipy/data/refs/mgb2_fatbands/run.abi
abipy/data/refs/mgb2_fatbands/run.abo
abipy/data/refs/mgb2_phonons_nkpt_tsmear/run_mgb2_phonons_nkpt_tsmear.py
abipy/data/refs/ni_ebands/gendata.py
abipy/data/refs/ni_ebands/ni_666k_DEN.nc
abipy/data/refs/ni_ebands/ni_666k_FATBANDS.nc
abipy/data/refs/ni_ebands/ni_666k_GSR.nc
abipy/data/refs/ni_ebands/ni_666k_POT.nc
abipy/data/refs/ni_ebands/ni_666k_VHA.nc
abipy/data/refs/ni_ebands/ni_666k_VHXC.nc
abipy/data/refs/ni_ebands/ni_666k_VXC.nc
abipy/data/refs/ni_ebands/ni_kpath_FATBANDS.nc
abipy/data/refs/ni_ebands/ni_kpath_GSR.nc
abipy/data/refs/ni_ebands/run.abi
abipy/data/refs/ni_ebands/run.abo
abipy/data/refs/si_bse/gendata.py
abipy/data/refs/si_bse/run.abi
abipy/data/refs/si_bse/run.abo
abipy/data/refs/si_bse/tbs_4o_DS2_MDF.nc
abipy/data/refs/si_bse_kpoints/run_flow.py
abipy/data/refs/si_bse_kpoints/si_444_MDF.nc
abipy/data/refs/si_bse_kpoints/si_666_MDF.nc
abipy/data/refs/si_bse_kpoints/si_888_MDF.nc
abipy/data/refs/si_ebands/gendata.py
abipy/data/refs/si_ebands/run.abi
abipy/data/refs/si_ebands/run.abo
abipy/data/refs/si_ebands/si_DEN.nc
abipy/data/refs/si_ebands/si_nscf_GSR.nc
abipy/data/refs/si_ebands/si_nscf_WFK.nc
abipy/data/refs/si_ebands/si_scf_GSR.nc
abipy/data/refs/si_ebands/si_scf_WFK.nc
abipy/data/refs/si_g0w0/gendata.py
abipy/data/refs/si_g0w0/run.abi
abipy/data/refs/si_g0w0/run.abo
abipy/data/refs/si_g0w0/si_g0w0ppm_nband10_SIGRES.nc
abipy/data/refs/si_g0w0/si_g0w0ppm_nband20_SIGRES.nc
abipy/data/refs/si_g0w0/si_g0w0ppm_nband30_SIGRES.nc
abipy/data/refs/sio2_screening/gendata.py
abipy/data/refs/sio2_screening/plot_scr.py
abipy/data/refs/sio2_screening/run.abi
abipy/data/refs/sio2_screening/run.abo
abipy/data/refs/sio2_screening/sio2_DEN.nc
abipy/data/refs/sio2_screening/sio2_EELF
abipy/data/refs/sio2_screening/sio2_EM1_LF
abipy/data/refs/sio2_screening/sio2_EM1_NLF
abipy/data/refs/sio2_screening/sio2_SCR.nc
abipy/data/refs/sio2_screening/sio2_kpath_GSR.nc
abipy/data/refs/znse_phonons/ZnSe_hex_886.anaddb.nc
abipy/data/refs/znse_phonons/ZnSe_hex_886.out_PHBST.nc
abipy/data/refs/znse_phonons/ZnSe_hex_886.out_PHDOS.nc
abipy/data/refs/znse_phonons/ZnSe_hex_qpt_DDB
abipy/data/refs/znse_phonons/ddb_notes
abipy/data/refs/znse_phonons/gendata.py
abipy/data/refs/znse_phonons/run.abi
abipy/dfpt/__init__.py
abipy/dfpt/anaddbnc.py
abipy/dfpt/converters.py
abipy/dfpt/ddb.py
abipy/dfpt/elastic.py
abipy/dfpt/frozen_phonons.py
abipy/dfpt/gruneisen.py
abipy/dfpt/ifc.py
abipy/dfpt/msqdos.py
abipy/dfpt/phonons.py
abipy/dfpt/phtk.py
abipy/dfpt/qha.py
abipy/dfpt/raman.py
abipy/dfpt/vsound.py
abipy/display/__init__.py
abipy/display/mvtk.py
abipy/display/utils.py
abipy/dynamics/__init__.py
abipy/dynamics/analyzer.py
abipy/dynamics/cpx.py
abipy/dynamics/hist.py
abipy/electrons/__init__.py
abipy/electrons/arpes.py
abipy/electrons/bse.py
abipy/electrons/charges.py
abipy/electrons/denpot.py
abipy/electrons/ebands.py
abipy/electrons/effmass_analyzer.py
abipy/electrons/eskw.py
abipy/electrons/fatbands.py
abipy/electrons/fold2bloch.py
abipy/electrons/gsr.py
abipy/electrons/gw.py
abipy/electrons/gwr.py
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