CITATION.cff
CODE_OF_CONDUCT.md
CONTRIBUTING.md
GOVERNANCE.md
HISTORY.rst
LICENSE
MANIFEST.in
README.rst
ROADMAP.md
SECURITY.md
SUPPORT.md
THIRD_PARTY_NOTICES.md
pyproject.toml
setup.py
examples/quickstart.py
pyqed/FranckCondon.py
pyqed/LippmanSchwinger.py
pyqed/__init__.py
pyqed/_version.py
pyqed/backup.py
pyqed/beam.py
pyqed/cavity.py
pyqed/clebsch_gordan.py
pyqed/comb.py
pyqed/common.py
pyqed/correlation.py
pyqed/davidson.py
pyqed/deom.py
pyqed/entanglement.py
pyqed/fft.py
pyqed/group.py
pyqed/ho.py
pyqed/householder.py
pyqed/igner.py
pyqed/liouville.py
pyqed/mol.py
pyqed/moving_gaussian.py
pyqed/noise.py
pyqed/nonherm.py
pyqed/optics.py
pyqed/optimize.py
pyqed/oqs.py
pyqed/pd.py
pyqed/phys.py
pyqed/qip.py
pyqed/qnm.py
pyqed/quadrature.py
pyqed/style.py
pyqed/superoperator.py
pyqed/susceptibility.py
pyqed/units.py
pyqed/wigner.py
pyqed/wpd.py
pyqed.egg-info/PKG-INFO
pyqed.egg-info/SOURCES.txt
pyqed.egg-info/dependency_links.txt
pyqed.egg-info/requires.txt
pyqed.egg-info/top_level.txt
pyqed/HEOM/__init__.py
pyqed/HEOM/deom.py
pyqed/HEOM/heom.py
pyqed/HEOM/prony.py
pyqed/HEOM/propagator.py
pyqed/beam/__init__.py
pyqed/beam/config.py
pyqed/beam/scalar_fields_X.py
pyqed/beam/scalar_fields_XY.py
pyqed/beam/scalar_fields_XYZ.py
pyqed/beam/scalar_fields_XZ.py
pyqed/beam/scalar_fields_Z.py
pyqed/beam/scalar_masks_X.py
pyqed/beam/scalar_masks_XY.py
pyqed/beam/scalar_masks_XYZ.py
pyqed/beam/scalar_masks_XZ.py
pyqed/beam/scalar_sources_X.py
pyqed/beam/scalar_sources_XY.py
pyqed/beam/utils_common.py
pyqed/beam/utils_drawing.py
pyqed/beam/utils_math.py
pyqed/beam/utils_multiprocessing.py
pyqed/beam/utils_optics.py
pyqed/beam/utils_slicer.py
pyqed/beam/utils_tests.py
pyqed/beam/vector_fields_XY.py
pyqed/beam/vector_masks_XY.py
pyqed/beam/vector_sources_XY.py
pyqed/deom/__init__.py
pyqed/deom/deom.py
pyqed/deom/dqme.py
pyqed/deom/heom.py
pyqed/deom/prony.py
pyqed/deom/propagator.py
pyqed/dmrg/__init__.py
pyqed/dmrg/dmrg.py
pyqed/dmrg/dvr_1d.py
pyqed/dmrg/hubbard.py
pyqed/dmrg/simple_dmrg_02_finite_system.py
pyqed/dvr/__init__.py
pyqed/dvr/asd.py
pyqed/dvr/dvr.py
pyqed/dvr/dvr_1d.py
pyqed/dvr/dvr_2d.py
pyqed/dvr/gauss_hermite.py
pyqed/dvr/gwp_fbr.py
pyqed/dvr/joint_diag.py
pyqed/dvr/sddvr.py
pyqed/floquet/Floquet.py
pyqed/floquet/FloquetBloch.py
pyqed/floquet/__init__.py
pyqed/floquet/free_electron.py
pyqed/floquet/tight_binding.py
pyqed/floquet/utils.py
pyqed/gw/Helium.py
pyqed/gw/Hydrogen.py
pyqed/gw/__init__.py
pyqed/gw/bse.py
pyqed/gw/eph.py
pyqed/gw/green.py
pyqed/gw/gw.py
pyqed/gw/keldysh.py
pyqed/gw/molgw_benchmark.py
pyqed/gw/negf.py
pyqed/gw/pes.py
pyqed/gw/pyscf_gw.py
pyqed/gw/ref.py
pyqed/gw/rt_tdhf.py
pyqed/gw/scgw.py
pyqed/gw/tdhf.py
pyqed/gw/test.py
pyqed/md/__init__.py
pyqed/md/analysis.py
pyqed/md/atoms.py
pyqed/md/backends.py
pyqed/md/barostat.py
pyqed/md/calculators.py
pyqed/md/charmm.py
pyqed/md/constraints.py
pyqed/md/engine.py
pyqed/md/forcefield.py
pyqed/md/initialize.py
pyqed/md/io.py
pyqed/md/ions.py
pyqed/md/langevin.py
pyqed/md/lipids.py
pyqed/md/md.py
pyqed/md/measure.py
pyqed/md/membrane.py
pyqed/md/minimize.py
pyqed/md/neighborlist.py
pyqed/md/openmm.py
pyqed/md/openmm_import.py
pyqed/md/openmm_lipids.py
pyqed/md/potentials.py
pyqed/md/prepare.py
pyqed/md/protocol.py
pyqed/md/qmmm.py
pyqed/md/restart.py
pyqed/md/solvation.py
pyqed/md/topology.py
pyqed/md/utility.py
pyqed/md/velocities.py
pyqed/md/verlet.py
pyqed/md/water.py
pyqed/ml/__init__.py
pyqed/ml/nn.py
pyqed/models/ShinMetiu.py
pyqed/models/ShinMetiu2e1d.py
pyqed/models/ShinMetiu3d.py
pyqed/models/__init__.py
pyqed/models/dho.py
pyqed/models/exciton.py
pyqed/models/heisenberg.py
pyqed/models/hubbard.py
pyqed/models/jahn_teller.py
pyqed/models/pcet.py
pyqed/models/phenol.py
pyqed/models/plt.py
pyqed/models/pyrazine.py
pyqed/models/pyrazine_4Dimension_SparseGrid.py
pyqed/models/pyrrole.py
pyqed/models/triazine.py
pyqed/models/vibronic.py
pyqed/models/impurity/__init__.py
pyqed/models/impurity/sbm.py
pyqed/models/impurity/spin_boson.py
pyqed/models/impurity/wilson.py
pyqed/mps/Heisenberg1D.py
pyqed/mps/TEBD_Pollmann.py
pyqed/mps/__init__.py
pyqed/mps/abelian.py
pyqed/mps/abelian_direct.py
pyqed/mps/abelian_storage.py
pyqed/mps/comb.py
pyqed/mps/cpp_davidson.py
pyqed/mps/decompose.py
pyqed/mps/dmrg.py
pyqed/mps/fermion.py
pyqed/mps/fermion_chain.py
pyqed/mps/first_quantization.py
pyqed/mps/hubbard.py
pyqed/mps/lvc.py
pyqed/mps/mps.py
pyqed/mps/namd.py
pyqed/mps/ncon.py
pyqed/mps/su2.py
pyqed/mps/symmetry.py
pyqed/mps/tdmps.py
pyqed/mps/tdvp.py
pyqed/mps/tdvp_cpp.py
pyqed/mps/tebd.py
pyqed/mps/test.py
pyqed/mps/umps.py
pyqed/mps/vibrational.py
pyqed/mps/vibronic.py
pyqed/mps/nonabelian/__init__.py
pyqed/mps/nonabelian/basis.py
pyqed/mps/nonabelian/builder.py
pyqed/mps/nonabelian/canonical.py
pyqed/mps/nonabelian/contraction.py
pyqed/mps/nonabelian/coupling.py
pyqed/mps/nonabelian/decompose.py
pyqed/mps/nonabelian/driver.py
pyqed/mps/nonabelian/effective.py
pyqed/mps/nonabelian/environment.py
pyqed/mps/nonabelian/linalg.py
pyqed/mps/nonabelian/local_operator.py
pyqed/mps/nonabelian/models.py
pyqed/mps/nonabelian/mpo.py
pyqed/mps/nonabelian/mps.py
pyqed/mps/nonabelian/multiroot.py
pyqed/mps/nonabelian/operators.py
pyqed/mps/nonabelian/renormalized.py
pyqed/mps/nonabelian/solver.py
pyqed/mps/nonabelian/states.py
pyqed/mps/nonabelian/sweep.py
pyqed/mps/nonabelian/tensor.py
pyqed/mps/nonabelian/update.py
pyqed/namd/__init__.py
pyqed/namd/adiabatic.py
pyqed/namd/bh.py
pyqed/namd/diabatic.py
pyqed/namd/ehrenfest.py
pyqed/namd/gwp.py
pyqed/namd/keo.py
pyqed/namd/ldrfg.py
pyqed/namd/mf.py
pyqed/namd/triatom.py
pyqed/namd/triatomic.py
pyqed/namd/ttldr.py
pyqed/narg/__init__.py
pyqed/narg/bose_hubbard.py
pyqed/narg/boson.py
pyqed/narg/conditional_two_site.py
pyqed/narg/core.py
pyqed/narg/functional.py
pyqed/narg/holstein.py
pyqed/narg/irrep_tensor.py
pyqed/narg/ising.py
pyqed/narg/spin.py
pyqed/narg/spin_boson.py
pyqed/narg/letta/__init__.py
pyqed/narg/letta/core.py
pyqed/narg/qchem/__init__.py
pyqed/narg/qchem/abelian.py
pyqed/narg/qchem/abelian_cython.py
pyqed/narg/qchem/active_space.py
pyqed/narg/qchem/bare.py
pyqed/narg/qchem/compiled.py
pyqed/narg/qchem/letta.py
pyqed/narg/qchem/su2.py
pyqed/narg/qchem/su2_chain.py
pyqed/narg/qchem/su2_core.py
pyqed/narg/qchem/su2_cython.py
pyqed/narg/qchem/su2_reduced_tensor.py
pyqed/narg/qchem/su2_three_site.py
pyqed/narg/qchem/su2_two_site.py
pyqed/polariton/__init__.py
pyqed/polariton/cavity.py
pyqed/polariton/exact.py
pyqed/polariton/plt.py
pyqed/polariton/tdh.py
pyqed/polariton/vsc.py
pyqed/protein/__init__.py
pyqed/protein/cd.py
pyqed/qchem/FCI_TBE.py
pyqed/qchem/HF_TBE.py
pyqed/qchem/__init__.py
pyqed/qchem/_basis_cy.c
pyqed/qchem/_basis_cy.pyx
pyqed/qchem/_libcint.py
pyqed/qchem/_libxc.py
pyqed/qchem/_rys_cy.c
pyqed/qchem/_rys_cy.pyx
pyqed/qchem/atomic_data.py
pyqed/qchem/basis.py
pyqed/qchem/basisTBE.py
pyqed/qchem/basis_derivatives.py
pyqed/qchem/cd.py
pyqed/qchem/cisd_overlap.py
pyqed/qchem/core.py
pyqed/qchem/current_density.py
pyqed/qchem/dmrg_tbe.py
pyqed/qchem/dyson.py
pyqed/qchem/force.py
pyqed/qchem/fourier.py
pyqed/qchem/geometric.py
pyqed/qchem/gto.py
pyqed/qchem/hessian.py
pyqed/qchem/ir.py
pyqed/qchem/lrtddft.py
pyqed/qchem/membrane_cd.py
pyqed/qchem/mol.py
pyqed/qchem/mps.py
pyqed/qchem/optimize.py
pyqed/qchem/overlap.py
pyqed/qchem/pcm_integrals.py
pyqed/qchem/plt.py
pyqed/qchem/rttddft.py
pyqed/qchem/rttdhf.py
pyqed/qchem/rys.py
pyqed/qchem/setup.py
pyqed/qchem/sg.py
pyqed/qchem/soc.py
pyqed/qchem/tddft.py
pyqed/qchem/tdscf.py
pyqed/qchem/untitled1.py
pyqed/qchem/untitled7.py
pyqed/qchem/vibration.py
pyqed/qchem/vibronic.py
pyqed/qchem/xas.py
pyqed/qchem/zmat.py
pyqed/qchem/H2/h2.in
pyqed/qchem/H2/h2o.in
pyqed/qchem/basis_set/2zap.1.gbs
pyqed/qchem/basis_set/2zapa-nr-cv.0.gbs
pyqed/qchem/basis_set/2zapa-nr-cv.1.gbs
pyqed/qchem/basis_set/2zapa-nr.0.gbs
pyqed/qchem/basis_set/2zapa-nr.1.gbs
pyqed/qchem/basis_set/3-21g.0.gbs
pyqed/qchem/basis_set/3-21g.1.gbs
pyqed/qchem/basis_set/3zap.1.gbs
pyqed/qchem/basis_set/3zapa-nr-cv.0.gbs
pyqed/qchem/basis_set/3zapa-nr-cv.1.gbs
pyqed/qchem/basis_set/3zapa-nr.0.gbs
pyqed/qchem/basis_set/3zapa-nr.1.gbs
pyqed/qchem/basis_set/4-31g.0.gbs
pyqed/qchem/basis_set/4-31g.1.gbs
pyqed/qchem/basis_set/4zap.1.gbs
pyqed/qchem/basis_set/4zapa-nr-cv.0.gbs
pyqed/qchem/basis_set/4zapa-nr-cv.1.gbs
pyqed/qchem/basis_set/4zapa-nr.0.gbs
pyqed/qchem/basis_set/4zapa-nr.1.gbs
pyqed/qchem/basis_set/5-21g.1.gbs
pyqed/qchem/basis_set/5zap.1.gbs
pyqed/qchem/basis_set/5zapa-nr-cv.0.gbs
pyqed/qchem/basis_set/5zapa-nr-cv.1.gbs
pyqed/qchem/basis_set/5zapa-nr.0.gbs
pyqed/qchem/basis_set/5zapa-nr.1.gbs
pyqed/qchem/basis_set/6-21g.1.gbs
pyqed/qchem/basis_set/6-31++g.0.gbs
pyqed/qchem/basis_set/6-31++g.1.gbs
pyqed/qchem/basis_set/6-31++g_st_.0.gbs
pyqed/qchem/basis_set/6-31++g_st_.1.gbs
pyqed/qchem/basis_set/6-31++g_st__st_-j.0.gbs
pyqed/qchem/basis_set/6-31++g_st__st_.0.gbs
pyqed/qchem/basis_set/6-31++g_st__st_.1.gbs
pyqed/qchem/basis_set/6-31+g.0.gbs
pyqed/qchem/basis_set/6-31+g.1.gbs
pyqed/qchem/basis_set/6-31+g_st_-j.0.gbs
pyqed/qchem/basis_set/6-31+g_st_.0.gbs
pyqed/qchem/basis_set/6-31+g_st_.1.gbs
pyqed/qchem/basis_set/6-31+g_st__st_.0.gbs
pyqed/qchem/basis_set/6-31+g_st__st_.1.gbs
pyqed/qchem/basis_set/6-311++g(2d,2p).0.gbs
pyqed/qchem/basis_set/6-311++g(3df,3pd).0.gbs
pyqed/qchem/basis_set/6-311++g.0.gbs
pyqed/qchem/basis_set/6-311++g_st_.0.gbs
pyqed/qchem/basis_set/6-311++g_st__st_-j.0.gbs
pyqed/qchem/basis_set/6-311++g_st__st_.0.gbs
pyqed/qchem/basis_set/6-311+g(2d,p).0.gbs
pyqed/qchem/basis_set/6-311+g.0.gbs
pyqed/qchem/basis_set/6-311+g_st_-j.0.gbs
pyqed/qchem/basis_set/6-311+g_st_.0.gbs
pyqed/qchem/basis_set/6-311+g_st__st_.0.gbs
pyqed/qchem/basis_set/6-311g(2df,2pd).0.gbs
pyqed/qchem/basis_set/6-311g(d,p).0.gbs
pyqed/qchem/basis_set/6-311g-j.0.gbs
pyqed/qchem/basis_set/6-311g.0.gbs
pyqed/qchem/basis_set/6-311g_st_.0.gbs
pyqed/qchem/basis_set/6-311g_st__st_-rifit.1.gbs
pyqed/qchem/basis_set/6-311g_st__st_.0.gbs
pyqed/qchem/basis_set/6-311xxg(d,p).1.gbs
pyqed/qchem/basis_set/6-31g(2df,p).0.gbs
pyqed/qchem/basis_set/6-31g(3df,3pd).0.gbs
pyqed/qchem/basis_set/6-31g(d,p).0.gbs
pyqed/qchem/basis_set/6-31g(d,p).1.gbs
pyqed/qchem/basis_set/6-31g-blaudeau.0.gbs
pyqed/qchem/basis_set/6-31g-j.0.gbs
pyqed/qchem/basis_set/6-31g.0.gbs
pyqed/qchem/basis_set/6-31g.1.gbs
pyqed/qchem/basis_set/6-31g_st_-blaudeau.0.gbs
pyqed/qchem/basis_set/6-31g_st_.0.gbs
pyqed/qchem/basis_set/6-31g_st_.1.gbs
pyqed/qchem/basis_set/6-31g_st__st_-rifit.1.gbs
pyqed/qchem/basis_set/6-31g_st__st_.0.gbs
pyqed/qchem/basis_set/6-31g_st__st_.1.gbs
pyqed/qchem/basis_set/6zap.1.gbs
pyqed/qchem/basis_set/6zapa-nr.0.gbs
pyqed/qchem/basis_set/6zapa-nr.1.gbs
pyqed/qchem/basis_set/7zapa-nr.0.gbs
pyqed/qchem/basis_set/7zapa-nr.1.gbs
pyqed/qchem/basis_set/BASIS_SET_EXCHANGE_LICENSE.txt
pyqed/qchem/basis_set/BASIS_SET_EXCHANGE_NOTICE.txt
pyqed/qchem/basis_set/PYSCF_APACHE_LICENSE.txt
pyqed/qchem/basis_set/PYSCF_NOTICE.txt
pyqed/qchem/basis_set/README.txt
pyqed/qchem/basis_set/acv2z-j.1.gbs
pyqed/qchem/basis_set/acv3z-j.1.gbs
pyqed/qchem/basis_set/acv4z-j.1.gbs
pyqed/qchem/basis_set/admm-1.1.gbs
pyqed/qchem/basis_set/admm-2.1.gbs
pyqed/qchem/basis_set/admm-3.1.gbs
pyqed/qchem/basis_set/ahgbs-5.1.gbs
pyqed/qchem/basis_set/ahgbs-7.1.gbs
pyqed/qchem/basis_set/ahgbs-9.1.gbs
pyqed/qchem/basis_set/ahgbsp1-5.1.gbs
pyqed/qchem/basis_set/ahgbsp1-7.1.gbs
pyqed/qchem/basis_set/ahgbsp1-9.1.gbs
pyqed/qchem/basis_set/ahgbsp2-5.1.gbs
pyqed/qchem/basis_set/ahgbsp2-7.1.gbs
pyqed/qchem/basis_set/ahgbsp2-9.1.gbs
pyqed/qchem/basis_set/ahgbsp3-5.1.gbs
pyqed/qchem/basis_set/ahgbsp3-7.1.gbs
pyqed/qchem/basis_set/ahgbsp3-9.1.gbs
pyqed/qchem/basis_set/ahlrichs pvdz.0.gbs
pyqed/qchem/basis_set/ahlrichs tzv.0.gbs
pyqed/qchem/basis_set/ahlrichs vdz.0.gbs
pyqed/qchem/basis_set/ahlrichs vtz.0.gbs
pyqed/qchem/basis_set/ano-dk3.1.gbs
pyqed/qchem/basis_set/ano-pv5z.1.gbs
pyqed/qchem/basis_set/ano-pvdz.1.gbs
pyqed/qchem/basis_set/ano-pvqz.1.gbs
pyqed/qchem/basis_set/ano-pvtz.1.gbs
pyqed/qchem/basis_set/ano-r.1.gbs
pyqed/qchem/basis_set/ano-r.2.gbs
pyqed/qchem/basis_set/ano-r0.1.gbs
pyqed/qchem/basis_set/ano-r0.2.gbs
pyqed/qchem/basis_set/ano-r1.1.gbs
pyqed/qchem/basis_set/ano-r1.2.gbs
pyqed/qchem/basis_set/ano-r2.1.gbs
pyqed/qchem/basis_set/ano-r2.2.gbs
pyqed/qchem/basis_set/ano-r3.1.gbs
pyqed/qchem/basis_set/ano-r3.2.gbs
pyqed/qchem/basis_set/ano-rcc-mb.1.gbs
pyqed/qchem/basis_set/ano-rcc-vdz.1.gbs
pyqed/qchem/basis_set/ano-rcc-vdzp.1.gbs
pyqed/qchem/basis_set/ano-rcc-vqzp.1.gbs
pyqed/qchem/basis_set/ano-rcc-vtz.1.gbs
pyqed/qchem/basis_set/ano-rcc-vtzp.1.gbs
pyqed/qchem/basis_set/ano-rcc.0.gbs
pyqed/qchem/basis_set/ano-rcc.1.gbs
pyqed/qchem/basis_set/ano-vt-dz.1.gbs
pyqed/qchem/basis_set/ano-vt-qz.1.gbs
pyqed/qchem/basis_set/ano-vt-qz.2.gbs
pyqed/qchem/basis_set/ano-vt-tz.1.gbs
pyqed/qchem/basis_set/apr-cc-pv(q+d)z.0.gbs
pyqed/qchem/basis_set/asigmadz.1.gbs
pyqed/qchem/basis_set/asigmaqz.1.gbs
pyqed/qchem/basis_set/asigmatz.1.gbs
pyqed/qchem/basis_set/atzp-zora.1.gbs
pyqed/qchem/basis_set/aug-admm-1.1.gbs
pyqed/qchem/basis_set/aug-admm-2.1.gbs
pyqed/qchem/basis_set/aug-admm-3.1.gbs
pyqed/qchem/basis_set/aug-ano-pv5z.1.gbs
pyqed/qchem/basis_set/aug-ano-pvdz.1.gbs
pyqed/qchem/basis_set/aug-ano-pvqz.1.gbs
pyqed/qchem/basis_set/aug-ano-pvtz.1.gbs
pyqed/qchem/basis_set/aug-cc-pcv5z.0.gbs
pyqed/qchem/basis_set/aug-cc-pcvdz-dk.0.gbs
pyqed/qchem/basis_set/aug-cc-pcvdz.0.gbs
pyqed/qchem/basis_set/aug-cc-pcvqz-dk.0.gbs
pyqed/qchem/basis_set/aug-cc-pcvqz.0.gbs
pyqed/qchem/basis_set/aug-cc-pcvtz-dk.0.gbs
pyqed/qchem/basis_set/aug-cc-pcvtz.0.gbs
pyqed/qchem/basis_set/aug-cc-pv(5+d)z.0.gbs
pyqed/qchem/basis_set/aug-cc-pv(5+d)z.1.gbs
pyqed/qchem/basis_set/aug-cc-pv(d+d)z.0.gbs
pyqed/qchem/basis_set/aug-cc-pv(d+d)z.1.gbs
pyqed/qchem/basis_set/aug-cc-pv(q+d)z.0.gbs
pyqed/qchem/basis_set/aug-cc-pv(q+d)z.1.gbs
pyqed/qchem/basis_set/aug-cc-pv(t+d)z.0.gbs
pyqed/qchem/basis_set/aug-cc-pv(t+d)z.1.gbs
pyqed/qchem/basis_set/aug-cc-pv5z-dk.0.gbs
pyqed/qchem/basis_set/aug-cc-pv5z-optri.0.gbs
pyqed/qchem/basis_set/aug-cc-pv5z-pp-optri.0.gbs
pyqed/qchem/basis_set/aug-cc-pv5z-pp-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pv5z-pp.0.gbs
pyqed/qchem/basis_set/aug-cc-pv5z-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pv5z-rifit.1.gbs
pyqed/qchem/basis_set/aug-cc-pv5z.0.gbs
pyqed/qchem/basis_set/aug-cc-pv5z.1.gbs
pyqed/qchem/basis_set/aug-cc-pv6z-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pv6z-rifit.1.gbs
pyqed/qchem/basis_set/aug-cc-pv6z.0.gbs
pyqed/qchem/basis_set/aug-cc-pv6z.1.gbs
pyqed/qchem/basis_set/aug-cc-pv7z.0.gbs
pyqed/qchem/basis_set/aug-cc-pvdz-dk.0.gbs
pyqed/qchem/basis_set/aug-cc-pvdz-dk3.1.gbs
pyqed/qchem/basis_set/aug-cc-pvdz-optri.0.gbs
pyqed/qchem/basis_set/aug-cc-pvdz-pp-optri.0.gbs
pyqed/qchem/basis_set/aug-cc-pvdz-pp-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pvdz-pp.0.gbs
pyqed/qchem/basis_set/aug-cc-pvdz-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pvdz-rifit.1.gbs
pyqed/qchem/basis_set/aug-cc-pvdz-x2c.1.gbs
pyqed/qchem/basis_set/aug-cc-pvdz.0.gbs
pyqed/qchem/basis_set/aug-cc-pvdz.1.gbs
pyqed/qchem/basis_set/aug-cc-pvqz-dk.0.gbs
pyqed/qchem/basis_set/aug-cc-pvqz-dk3.1.gbs
pyqed/qchem/basis_set/aug-cc-pvqz-optri.0.gbs
pyqed/qchem/basis_set/aug-cc-pvqz-pp-optri.0.gbs
pyqed/qchem/basis_set/aug-cc-pvqz-pp-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pvqz-pp.0.gbs
pyqed/qchem/basis_set/aug-cc-pvqz-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pvqz-rifit.1.gbs
pyqed/qchem/basis_set/aug-cc-pvqz-x2c.1.gbs
pyqed/qchem/basis_set/aug-cc-pvqz.0.gbs
pyqed/qchem/basis_set/aug-cc-pvqz.1.gbs
pyqed/qchem/basis_set/aug-cc-pvtz-dk.0.gbs
pyqed/qchem/basis_set/aug-cc-pvtz-dk3.1.gbs
pyqed/qchem/basis_set/aug-cc-pvtz-j.0.gbs
pyqed/qchem/basis_set/aug-cc-pvtz-optri.0.gbs
pyqed/qchem/basis_set/aug-cc-pvtz-pp-optri.0.gbs
pyqed/qchem/basis_set/aug-cc-pvtz-pp-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pvtz-pp.0.gbs
pyqed/qchem/basis_set/aug-cc-pvtz-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pvtz-rifit.1.gbs
pyqed/qchem/basis_set/aug-cc-pvtz-x2c.1.gbs
pyqed/qchem/basis_set/aug-cc-pvtz.0.gbs
pyqed/qchem/basis_set/aug-cc-pvtz.1.gbs
pyqed/qchem/basis_set/aug-cc-pwcv5z-dk.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcv5z-pp-optri.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcv5z-pp-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcv5z-pp.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcv5z-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcv5z-rifit.1.gbs
pyqed/qchem/basis_set/aug-cc-pwcv5z.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvdz-dk3.1.gbs
pyqed/qchem/basis_set/aug-cc-pwcvdz-pp-optri.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvdz-pp-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvdz-pp.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvdz-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvdz-rifit.1.gbs
pyqed/qchem/basis_set/aug-cc-pwcvdz-x2c.1.gbs
pyqed/qchem/basis_set/aug-cc-pwcvdz.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvqz-dk.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvqz-dk3.1.gbs
pyqed/qchem/basis_set/aug-cc-pwcvqz-pp-optri.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvqz-pp-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvqz-pp.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvqz-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvqz-rifit.1.gbs
pyqed/qchem/basis_set/aug-cc-pwcvqz-x2c.1.gbs
pyqed/qchem/basis_set/aug-cc-pwcvqz.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvtz-dk.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvtz-dk3.1.gbs
pyqed/qchem/basis_set/aug-cc-pwcvtz-pp-optri.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvtz-pp-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvtz-pp.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvtz-rifit.0.gbs
pyqed/qchem/basis_set/aug-cc-pwcvtz-rifit.1.gbs
pyqed/qchem/basis_set/aug-cc-pwcvtz-x2c.1.gbs
pyqed/qchem/basis_set/aug-cc-pwcvtz.0.gbs
pyqed/qchem/basis_set/aug-ccx-5z.1.gbs
pyqed/qchem/basis_set/aug-ccx-dz.1.gbs
pyqed/qchem/basis_set/aug-ccx-qz.1.gbs
pyqed/qchem/basis_set/aug-ccx-tz.1.gbs
pyqed/qchem/basis_set/aug-mcc-pv5z.0.gbs
pyqed/qchem/basis_set/aug-mcc-pv6z.0.gbs
pyqed/qchem/basis_set/aug-mcc-pv7z.0.gbs
pyqed/qchem/basis_set/aug-mcc-pv8z.0.gbs
pyqed/qchem/basis_set/aug-mcc-pvqz.0.gbs
pyqed/qchem/basis_set/aug-mcc-pvtz.0.gbs
pyqed/qchem/basis_set/aug-pc-0.0.gbs
pyqed/qchem/basis_set/aug-pc-1.0.gbs
pyqed/qchem/basis_set/aug-pc-2.0.gbs
pyqed/qchem/basis_set/aug-pc-3.0.gbs
pyqed/qchem/basis_set/aug-pc-4.0.gbs
pyqed/qchem/basis_set/aug-pch-1.1.gbs
pyqed/qchem/basis_set/aug-pch-2.1.gbs
pyqed/qchem/basis_set/aug-pch-3.1.gbs
pyqed/qchem/basis_set/aug-pch-4.1.gbs
pyqed/qchem/basis_set/aug-pcj-0.0.gbs
pyqed/qchem/basis_set/aug-pcj-0.1.gbs
pyqed/qchem/basis_set/aug-pcj-0_2006.0.gbs
pyqed/qchem/basis_set/aug-pcj-1.0.gbs
pyqed/qchem/basis_set/aug-pcj-1.1.gbs
pyqed/qchem/basis_set/aug-pcj-1_2006.0.gbs
pyqed/qchem/basis_set/aug-pcj-2.0.gbs
pyqed/qchem/basis_set/aug-pcj-2.1.gbs
pyqed/qchem/basis_set/aug-pcj-2_2006.0.gbs
pyqed/qchem/basis_set/aug-pcj-3.0.gbs
pyqed/qchem/basis_set/aug-pcj-3.1.gbs
pyqed/qchem/basis_set/aug-pcj-3_2006.0.gbs
pyqed/qchem/basis_set/aug-pcj-4.0.gbs
pyqed/qchem/basis_set/aug-pcj-4.1.gbs
pyqed/qchem/basis_set/aug-pcj-4_2006.0.gbs
pyqed/qchem/basis_set/aug-pcs-0.0.gbs
pyqed/qchem/basis_set/aug-pcs-1.0.gbs
pyqed/qchem/basis_set/aug-pcs-2.0.gbs
pyqed/qchem/basis_set/aug-pcs-3.0.gbs
pyqed/qchem/basis_set/aug-pcs-4.0.gbs
pyqed/qchem/basis_set/aug-pcseg-0.0.gbs
pyqed/qchem/basis_set/aug-pcseg-0.1.gbs
pyqed/qchem/basis_set/aug-pcseg-1.0.gbs
pyqed/qchem/basis_set/aug-pcseg-1.1.gbs
pyqed/qchem/basis_set/aug-pcseg-2.0.gbs
pyqed/qchem/basis_set/aug-pcseg-2.1.gbs
pyqed/qchem/basis_set/aug-pcseg-3.0.gbs
pyqed/qchem/basis_set/aug-pcseg-3.1.gbs
pyqed/qchem/basis_set/aug-pcseg-4.0.gbs
pyqed/qchem/basis_set/aug-pcseg-4.1.gbs
pyqed/qchem/basis_set/aug-pcsseg-0.0.gbs
pyqed/qchem/basis_set/aug-pcsseg-0.1.gbs
pyqed/qchem/basis_set/aug-pcsseg-1.0.gbs
pyqed/qchem/basis_set/aug-pcsseg-1.1.gbs
pyqed/qchem/basis_set/aug-pcsseg-2.0.gbs
pyqed/qchem/basis_set/aug-pcsseg-2.1.gbs
pyqed/qchem/basis_set/aug-pcsseg-3.0.gbs
pyqed/qchem/basis_set/aug-pcsseg-3.1.gbs
pyqed/qchem/basis_set/aug-pcsseg-4.0.gbs
pyqed/qchem/basis_set/aug-pcsseg-4.1.gbs
pyqed/qchem/basis_set/aug-pcx-1.1.gbs
pyqed/qchem/basis_set/aug-pcx-2.1.gbs
pyqed/qchem/basis_set/aug-pcx-3.1.gbs
pyqed/qchem/basis_set/aug-pcx-4.1.gbs
pyqed/qchem/basis_set/aug-pv7z.0.gbs
pyqed/qchem/basis_set/aug-seg-cc-pv5z-pp.1.gbs
pyqed/qchem/basis_set/aug-seg-cc-pvdz-pp.1.gbs
pyqed/qchem/basis_set/aug-seg-cc-pvqz-pp.1.gbs
pyqed/qchem/basis_set/aug-seg-cc-pvtz-pp.1.gbs
pyqed/qchem/basis_set/aug-seg-cc-pwcv5z-pp.1.gbs
pyqed/qchem/basis_set/aug-seg-cc-pwcvdz-pp.1.gbs
pyqed/qchem/basis_set/aug-seg-cc-pwcvqz-pp.1.gbs
pyqed/qchem/basis_set/aug-seg-cc-pwcvtz-pp.1.gbs
pyqed/qchem/basis_set/binning 641(d).0.gbs
pyqed/qchem/basis_set/binning 641(df).0.gbs
pyqed/qchem/basis_set/binning 641+(d).0.gbs
pyqed/qchem/basis_set/binning 641+(df).0.gbs
pyqed/qchem/basis_set/binning 641+.0.gbs
pyqed/qchem/basis_set/binning 641.0.gbs
pyqed/qchem/basis_set/binning 962(d).0.gbs
pyqed/qchem/basis_set/binning 962(df).0.gbs
pyqed/qchem/basis_set/binning 962+(d).0.gbs
pyqed/qchem/basis_set/binning 962+(df).0.gbs
pyqed/qchem/basis_set/binning 962+.0.gbs
pyqed/qchem/basis_set/binning 962.0.gbs
pyqed/qchem/basis_set/cadpac-tz2p.1.gbs
pyqed/qchem/basis_set/cc-pcv5z.0.gbs
pyqed/qchem/basis_set/cc-pcvdz-dk.0.gbs
pyqed/qchem/basis_set/cc-pcvdz-f12-optri.0.gbs
pyqed/qchem/basis_set/cc-pcvdz-f12-rifit.0.gbs
pyqed/qchem/basis_set/cc-pcvdz-f12.0.gbs
pyqed/qchem/basis_set/cc-pcvdz.0.gbs
pyqed/qchem/basis_set/cc-pcvqz-dk.0.gbs
pyqed/qchem/basis_set/cc-pcvqz-f12-optri.0.gbs
pyqed/qchem/basis_set/cc-pcvqz-f12-rifit.0.gbs
pyqed/qchem/basis_set/cc-pcvqz-f12.0.gbs
pyqed/qchem/basis_set/cc-pcvqz.0.gbs
pyqed/qchem/basis_set/cc-pcvtz-dk.0.gbs
pyqed/qchem/basis_set/cc-pcvtz-f12-optri.0.gbs
pyqed/qchem/basis_set/cc-pcvtz-f12-rifit.0.gbs
pyqed/qchem/basis_set/cc-pcvtz-f12.0.gbs
pyqed/qchem/basis_set/cc-pcvtz.0.gbs
pyqed/qchem/basis_set/cc-pv(5+d)z.0.gbs
pyqed/qchem/basis_set/cc-pv(5+d)z.1.gbs
pyqed/qchem/basis_set/cc-pv(d+d)z.0.gbs
pyqed/qchem/basis_set/cc-pv(d+d)z.1.gbs
pyqed/qchem/basis_set/cc-pv(q+d)z.0.gbs
pyqed/qchem/basis_set/cc-pv(q+d)z.1.gbs
pyqed/qchem/basis_set/cc-pv(t+d)z.0.gbs
pyqed/qchem/basis_set/cc-pv(t+d)z.1.gbs
pyqed/qchem/basis_set/cc-pv5z(fi_sl_sf_sl_fw).0.gbs
pyqed/qchem/basis_set/cc-pv5z(fi_sl_sf_sl_lc).0.gbs
pyqed/qchem/basis_set/cc-pv5z(fi_sl_sf_sl_sc).0.gbs
pyqed/qchem/basis_set/cc-pv5z(pt_sl_sf_sl_fw).0.gbs
pyqed/qchem/basis_set/cc-pv5z(pt_sl_sf_sl_lc).0.gbs
pyqed/qchem/basis_set/cc-pv5z(pt_sl_sf_sl_sc).0.gbs
pyqed/qchem/basis_set/cc-pv5z-dk.0.gbs
pyqed/qchem/basis_set/cc-pv5z-f12(rev2).1.gbs
pyqed/qchem/basis_set/cc-pv5z-f12.1.gbs
pyqed/qchem/basis_set/cc-pv5z-jkfit.1.gbs
pyqed/qchem/basis_set/cc-pv5z-pp-rifit.0.gbs
pyqed/qchem/basis_set/cc-pv5z-pp.0.gbs
pyqed/qchem/basis_set/cc-pv5z-rifit.0.gbs
pyqed/qchem/basis_set/cc-pv5z-rifit.1.gbs
pyqed/qchem/basis_set/cc-pv5z.0.gbs
pyqed/qchem/basis_set/cc-pv5z.1.gbs
pyqed/qchem/basis_set/cc-pv6z-rifit.0.gbs
pyqed/qchem/basis_set/cc-pv6z-rifit.1.gbs
pyqed/qchem/basis_set/cc-pv6z.0.gbs
pyqed/qchem/basis_set/cc-pv6z.1.gbs
pyqed/qchem/basis_set/cc-pv8z.0.gbs
pyqed/qchem/basis_set/cc-pv9z.0.gbs
pyqed/qchem/basis_set/cc-pvdz(fi_sl_sf_sl_fw).0.gbs
pyqed/qchem/basis_set/cc-pvdz(fi_sl_sf_sl_lc).0.gbs
pyqed/qchem/basis_set/cc-pvdz(fi_sl_sf_sl_sc).0.gbs
pyqed/qchem/basis_set/cc-pvdz(pt_sl_sf_sl_fw).0.gbs
pyqed/qchem/basis_set/cc-pvdz(pt_sl_sf_sl_lc).0.gbs
pyqed/qchem/basis_set/cc-pvdz(pt_sl_sf_sl_sc).0.gbs
pyqed/qchem/basis_set/cc-pvdz(seg-opt).0.gbs
pyqed/qchem/basis_set/cc-pvdz-dk.0.gbs
pyqed/qchem/basis_set/cc-pvdz-dk3.0.gbs
pyqed/qchem/basis_set/cc-pvdz-dk3.1.gbs
pyqed/qchem/basis_set/cc-pvdz-f12(rev2).1.gbs
pyqed/qchem/basis_set/cc-pvdz-f12-optri+.1.gbs
pyqed/qchem/basis_set/cc-pvdz-f12-optri.0.gbs
pyqed/qchem/basis_set/cc-pvdz-f12.0.gbs
pyqed/qchem/basis_set/cc-pvdz-jkfit.1.gbs
pyqed/qchem/basis_set/cc-pvdz-pp-rifit.0.gbs
pyqed/qchem/basis_set/cc-pvdz-pp.0.gbs
pyqed/qchem/basis_set/cc-pvdz-rifit.0.gbs
pyqed/qchem/basis_set/cc-pvdz-rifit.1.gbs
pyqed/qchem/basis_set/cc-pvdz-x2c.1.gbs
pyqed/qchem/basis_set/cc-pvdz.0.gbs
pyqed/qchem/basis_set/cc-pvdz.1.gbs
pyqed/qchem/basis_set/cc-pvqz(fi_sl_sf_sl_fw).0.gbs
pyqed/qchem/basis_set/cc-pvqz(fi_sl_sf_sl_lc).0.gbs
pyqed/qchem/basis_set/cc-pvqz(fi_sl_sf_sl_sc).0.gbs
pyqed/qchem/basis_set/cc-pvqz(pt_sl_sf_sl_fw).0.gbs
pyqed/qchem/basis_set/cc-pvqz(pt_sl_sf_sl_lc).0.gbs
pyqed/qchem/basis_set/cc-pvqz(pt_sl_sf_sl_sc).0.gbs
pyqed/qchem/basis_set/cc-pvqz(seg-opt).0.gbs
pyqed/qchem/basis_set/cc-pvqz-dk.0.gbs
pyqed/qchem/basis_set/cc-pvqz-dk3.0.gbs
pyqed/qchem/basis_set/cc-pvqz-dk3.1.gbs
pyqed/qchem/basis_set/cc-pvqz-f12(rev2).1.gbs
pyqed/qchem/basis_set/cc-pvqz-f12-optri+.1.gbs
pyqed/qchem/basis_set/cc-pvqz-f12-optri.0.gbs
pyqed/qchem/basis_set/cc-pvqz-f12.0.gbs
pyqed/qchem/basis_set/cc-pvqz-jkfit.1.gbs
pyqed/qchem/basis_set/cc-pvqz-pp-rifit.0.gbs
pyqed/qchem/basis_set/cc-pvqz-pp.0.gbs
pyqed/qchem/basis_set/cc-pvqz-rifit.0.gbs
pyqed/qchem/basis_set/cc-pvqz-rifit.1.gbs
pyqed/qchem/basis_set/cc-pvqz-x2c.1.gbs
pyqed/qchem/basis_set/cc-pvqz.0.gbs
pyqed/qchem/basis_set/cc-pvqz.1.gbs
pyqed/qchem/basis_set/cc-pvtz(fi_sl_sf_sl_fw).0.gbs
pyqed/qchem/basis_set/cc-pvtz(fi_sl_sf_sl_lc).0.gbs
pyqed/qchem/basis_set/cc-pvtz(fi_sl_sf_sl_sc).0.gbs
pyqed/qchem/basis_set/cc-pvtz(pt_sl_sf_sl_fw).0.gbs
pyqed/qchem/basis_set/cc-pvtz(pt_sl_sf_sl_lc).0.gbs
pyqed/qchem/basis_set/cc-pvtz(pt_sl_sf_sl_sc).0.gbs
pyqed/qchem/basis_set/cc-pvtz(seg-opt).0.gbs
pyqed/qchem/basis_set/cc-pvtz-dk.0.gbs
pyqed/qchem/basis_set/cc-pvtz-dk3.0.gbs
pyqed/qchem/basis_set/cc-pvtz-dk3.1.gbs
pyqed/qchem/basis_set/cc-pvtz-f12(rev2).1.gbs
pyqed/qchem/basis_set/cc-pvtz-f12-optri+.1.gbs
pyqed/qchem/basis_set/cc-pvtz-f12-optri.0.gbs
pyqed/qchem/basis_set/cc-pvtz-f12.0.gbs
pyqed/qchem/basis_set/cc-pvtz-jkfit.1.gbs
pyqed/qchem/basis_set/cc-pvtz-pp-rifit.0.gbs
pyqed/qchem/basis_set/cc-pvtz-pp.0.gbs
pyqed/qchem/basis_set/cc-pvtz-rifit.0.gbs
pyqed/qchem/basis_set/cc-pvtz-rifit.1.gbs
pyqed/qchem/basis_set/cc-pvtz-x2c.1.gbs
pyqed/qchem/basis_set/cc-pvtz.0.gbs
pyqed/qchem/basis_set/cc-pvtz.1.gbs
pyqed/qchem/basis_set/cc-pwcv5z-dk.0.gbs
pyqed/qchem/basis_set/cc-pwcv5z-pp-rifit.0.gbs
pyqed/qchem/basis_set/cc-pwcv5z-pp.0.gbs
pyqed/qchem/basis_set/cc-pwcv5z-rifit.0.gbs
pyqed/qchem/basis_set/cc-pwcv5z-rifit.1.gbs
pyqed/qchem/basis_set/cc-pwcv5z.0.gbs
pyqed/qchem/basis_set/cc-pwcvdz-dk3.0.gbs
pyqed/qchem/basis_set/cc-pwcvdz-dk3.1.gbs
pyqed/qchem/basis_set/cc-pwcvdz-pp-rifit.0.gbs
pyqed/qchem/basis_set/cc-pwcvdz-pp.0.gbs
pyqed/qchem/basis_set/cc-pwcvdz-rifit.0.gbs
pyqed/qchem/basis_set/cc-pwcvdz-rifit.1.gbs
pyqed/qchem/basis_set/cc-pwcvdz-x2c.1.gbs
pyqed/qchem/basis_set/cc-pwcvdz.0.gbs
pyqed/qchem/basis_set/cc-pwcvqz-dk.0.gbs
pyqed/qchem/basis_set/cc-pwcvqz-dk3.0.gbs
pyqed/qchem/basis_set/cc-pwcvqz-dk3.1.gbs
pyqed/qchem/basis_set/cc-pwcvqz-dk3.2.gbs
pyqed/qchem/basis_set/cc-pwcvqz-pp-rifit.0.gbs
pyqed/qchem/basis_set/cc-pwcvqz-pp.0.gbs
pyqed/qchem/basis_set/cc-pwcvqz-rifit.0.gbs
pyqed/qchem/basis_set/cc-pwcvqz-rifit.1.gbs
pyqed/qchem/basis_set/cc-pwcvqz-x2c.1.gbs
pyqed/qchem/basis_set/cc-pwcvqz.0.gbs
pyqed/qchem/basis_set/cc-pwcvtz-dk.0.gbs
pyqed/qchem/basis_set/cc-pwcvtz-dk3.0.gbs
pyqed/qchem/basis_set/cc-pwcvtz-dk3.1.gbs
pyqed/qchem/basis_set/cc-pwcvtz-pp-rifit.0.gbs
pyqed/qchem/basis_set/cc-pwcvtz-pp.0.gbs
pyqed/qchem/basis_set/cc-pwcvtz-rifit.0.gbs
pyqed/qchem/basis_set/cc-pwcvtz-rifit.1.gbs
pyqed/qchem/basis_set/cc-pwcvtz-x2c.1.gbs
pyqed/qchem/basis_set/cc-pwcvtz.0.gbs
pyqed/qchem/basis_set/ccemd-2.0.gbs
pyqed/qchem/basis_set/ccemd-3.0.gbs
pyqed/qchem/basis_set/ccj-pv5z.0.gbs
pyqed/qchem/basis_set/ccj-pvdz.0.gbs
pyqed/qchem/basis_set/ccj-pvqz.0.gbs
pyqed/qchem/basis_set/ccj-pvtz.0.gbs
pyqed/qchem/basis_set/ccx-5z.1.gbs
pyqed/qchem/basis_set/ccx-dz.1.gbs
pyqed/qchem/basis_set/ccx-qz.1.gbs
pyqed/qchem/basis_set/ccx-tz.1.gbs
pyqed/qchem/basis_set/coemd-2.0.gbs
pyqed/qchem/basis_set/coemd-3.0.gbs
pyqed/qchem/basis_set/coemd-4.0.gbs
pyqed/qchem/basis_set/coemd-ref.0.gbs
pyqed/qchem/basis_set/cologne dkh2.0.gbs
pyqed/qchem/basis_set/crenbl ecp.0.gbs
pyqed/qchem/basis_set/crenbl.0.gbs
pyqed/qchem/basis_set/crenbs ecp.0.gbs
pyqed/qchem/basis_set/crenbs.0.gbs
pyqed/qchem/basis_set/d-aug-cc-pv5z.0.gbs
pyqed/qchem/basis_set/d-aug-cc-pv6z.0.gbs
pyqed/qchem/basis_set/d-aug-cc-pvdz.0.gbs
pyqed/qchem/basis_set/d-aug-cc-pvqz.0.gbs
pyqed/qchem/basis_set/d-aug-cc-pvtz.0.gbs
pyqed/qchem/basis_set/def2-ecp.0.gbs
pyqed/qchem/basis_set/def2-ecp.1.gbs
pyqed/qchem/basis_set/def2-mtzvp.1.gbs
pyqed/qchem/basis_set/def2-mtzvpp-rij.1.gbs
pyqed/qchem/basis_set/def2-mtzvpp.1.gbs
pyqed/qchem/basis_set/def2-qzvp-rifit.1.gbs
pyqed/qchem/basis_set/def2-qzvp.0.gbs
pyqed/qchem/basis_set/def2-qzvp.1.gbs
pyqed/qchem/basis_set/def2-qzvpd.0.gbs
pyqed/qchem/basis_set/def2-qzvpd.1.gbs
pyqed/qchem/basis_set/def2-qzvpp-rifit.1.gbs
pyqed/qchem/basis_set/def2-qzvpp.0.gbs
pyqed/qchem/basis_set/def2-qzvpp.1.gbs
pyqed/qchem/basis_set/def2-qzvppd-rifit.1.gbs
pyqed/qchem/basis_set/def2-qzvppd.0.gbs
pyqed/qchem/basis_set/def2-qzvppd.1.gbs
pyqed/qchem/basis_set/def2-sv(p)-jkfit.1.gbs
pyqed/qchem/basis_set/def2-sv(p)-rifit.1.gbs
pyqed/qchem/basis_set/def2-sv(p).0.gbs
pyqed/qchem/basis_set/def2-sv(p).1.gbs
pyqed/qchem/basis_set/def2-svp-rifit.1.gbs
pyqed/qchem/basis_set/def2-svp.0.gbs
pyqed/qchem/basis_set/def2-svp.1.gbs
pyqed/qchem/basis_set/def2-svpd-rifit.1.gbs
pyqed/qchem/basis_set/def2-svpd.0.gbs
pyqed/qchem/basis_set/def2-svpd.1.gbs
pyqed/qchem/basis_set/def2-tzvp-rifit.1.gbs
pyqed/qchem/basis_set/def2-tzvp.0.gbs
pyqed/qchem/basis_set/def2-tzvp.1.gbs
pyqed/qchem/basis_set/def2-tzvpd-rifit.1.gbs
pyqed/qchem/basis_set/def2-tzvpd.0.gbs
pyqed/qchem/basis_set/def2-tzvpd.1.gbs
pyqed/qchem/basis_set/def2-tzvpp-rifit.1.gbs
pyqed/qchem/basis_set/def2-tzvpp.0.gbs
pyqed/qchem/basis_set/def2-tzvpp.1.gbs
pyqed/qchem/basis_set/def2-tzvppd-rifit.1.gbs
pyqed/qchem/basis_set/def2-tzvppd.0.gbs
pyqed/qchem/basis_set/def2-tzvppd.1.gbs
pyqed/qchem/basis_set/def2-universal-jfit.1.gbs
pyqed/qchem/basis_set/def2-universal-jkfit.1.gbs
pyqed/qchem/basis_set/demon2k-dzvp-gga.1.gbs
pyqed/qchem/basis_set/dfo+-nrlmol.1.gbs
pyqed/qchem/basis_set/dfo-1-bhs.1.gbs
pyqed/qchem/basis_set/dfo-1.1.gbs
pyqed/qchem/basis_set/dfo-2.1.gbs
pyqed/qchem/basis_set/dfo-nrlmol.1.gbs
pyqed/qchem/basis_set/dgauss-a1-dftjfit.0.gbs
pyqed/qchem/basis_set/dgauss-a1-dftxfit.0.gbs
pyqed/qchem/basis_set/dgauss-a2-dftjfit.0.gbs
pyqed/qchem/basis_set/dgauss-a2-dftxfit.0.gbs
pyqed/qchem/basis_set/dgauss-dzvp.0.gbs
pyqed/qchem/basis_set/dgauss-dzvp2.0.gbs
pyqed/qchem/basis_set/dgauss-tzvp.0.gbs
pyqed/qchem/basis_set/dhf-ecp.0.gbs
pyqed/qchem/basis_set/dhf-qzvp.0.gbs
pyqed/qchem/basis_set/dhf-qzvpp.0.gbs
pyqed/qchem/basis_set/dhf-sv(p).0.gbs
pyqed/qchem/basis_set/dhf-svp.0.gbs
pyqed/qchem/basis_set/dhf-tzvp.0.gbs
pyqed/qchem/basis_set/dhf-tzvpp.0.gbs
pyqed/qchem/basis_set/dyall-aae2z.1.gbs
pyqed/qchem/basis_set/dyall-aae3z.1.gbs
pyqed/qchem/basis_set/dyall-aae4z.1.gbs
pyqed/qchem/basis_set/dyall-acv2z.1.gbs
pyqed/qchem/basis_set/dyall-acv3z.1.gbs
pyqed/qchem/basis_set/dyall-acv4z.1.gbs
pyqed/qchem/basis_set/dyall-ae2z.1.gbs
pyqed/qchem/basis_set/dyall-ae3z.1.gbs
pyqed/qchem/basis_set/dyall-ae4z.1.gbs
pyqed/qchem/basis_set/dyall-av2z.1.gbs
pyqed/qchem/basis_set/dyall-av3z.1.gbs
pyqed/qchem/basis_set/dyall-av4z.1.gbs
pyqed/qchem/basis_set/dyall-cv2z.1.gbs
pyqed/qchem/basis_set/dyall-cv3z.1.gbs
pyqed/qchem/basis_set/dyall-cv4z.1.gbs
pyqed/qchem/basis_set/dyall-v2z.1.gbs
pyqed/qchem/basis_set/dyall-v3z.1.gbs
pyqed/qchem/basis_set/dyall-v4z.1.gbs
pyqed/qchem/basis_set/dz (dunning-hay).0.gbs
pyqed/qchem/basis_set/dz + double rydberg (dunning-hay).0.gbs
pyqed/qchem/basis_set/dz + rydberg (dunning-hay).0.gbs
pyqed/qchem/basis_set/dzp (dunning-hay).0.gbs
pyqed/qchem/basis_set/dzp + diffuse (dunning-hay).0.gbs
pyqed/qchem/basis_set/dzp + rydberg (dunning-hay).0.gbs
pyqed/qchem/basis_set/epc-10s10p10d10f.1.gbs
pyqed/qchem/basis_set/epc-8s8p8d.1.gbs
pyqed/qchem/basis_set/fano-5z.1.gbs
pyqed/qchem/basis_set/fano-6z.1.gbs
pyqed/qchem/basis_set/fano-dz.1.gbs
pyqed/qchem/basis_set/fano-qz.1.gbs
pyqed/qchem/basis_set/fano-tz.1.gbs
pyqed/qchem/basis_set/grimme vdzp.1.gbs
pyqed/qchem/basis_set/hgbs-5.1.gbs
pyqed/qchem/basis_set/hgbs-7.1.gbs
pyqed/qchem/basis_set/hgbs-9.1.gbs
pyqed/qchem/basis_set/hgbsp1-5.1.gbs
pyqed/qchem/basis_set/hgbsp1-7.1.gbs
pyqed/qchem/basis_set/hgbsp1-9.1.gbs
pyqed/qchem/basis_set/hgbsp2-5.1.gbs
pyqed/qchem/basis_set/hgbsp2-7.1.gbs
pyqed/qchem/basis_set/hgbsp2-9.1.gbs
pyqed/qchem/basis_set/hgbsp3-5.1.gbs
pyqed/qchem/basis_set/hgbsp3-7.1.gbs
pyqed/qchem/basis_set/hgbsp3-9.1.gbs
pyqed/qchem/basis_set/iglo-ii.0.gbs
pyqed/qchem/basis_set/iglo-iii.0.gbs
pyqed/qchem/basis_set/jgauss-dzp.1.gbs
pyqed/qchem/basis_set/jgauss-qz2p.1.gbs
pyqed/qchem/basis_set/jgauss-qzp.1.gbs
pyqed/qchem/basis_set/jgauss-tzp1.1.gbs
pyqed/qchem/basis_set/jgauss-tzp2.1.gbs
pyqed/qchem/basis_set/jorge-5zp-dkh.0.gbs
pyqed/qchem/basis_set/jorge-5zp-dkh.1.gbs
pyqed/qchem/basis_set/jorge-5zp.0.gbs
pyqed/qchem/basis_set/jorge-5zp.1.gbs
pyqed/qchem/basis_set/jorge-6zp-dkh.0.gbs
pyqed/qchem/basis_set/jorge-6zp-dkh.1.gbs
pyqed/qchem/basis_set/jorge-6zp.0.gbs
pyqed/qchem/basis_set/jorge-6zp.1.gbs
pyqed/qchem/basis_set/jorge-a5zp.0.gbs
pyqed/qchem/basis_set/jorge-a5zp.1.gbs
pyqed/qchem/basis_set/jorge-adzp.0.gbs
pyqed/qchem/basis_set/jorge-adzp.1.gbs
pyqed/qchem/basis_set/jorge-aqzp.0.gbs
pyqed/qchem/basis_set/jorge-aqzp.1.gbs
pyqed/qchem/basis_set/jorge-atzp-zora.1.gbs
pyqed/qchem/basis_set/jorge-atzp.0.gbs
pyqed/qchem/basis_set/jorge-atzp.1.gbs
pyqed/qchem/basis_set/jorge-dzp-dkh.0.gbs
pyqed/qchem/basis_set/jorge-dzp-dkh.1.gbs
pyqed/qchem/basis_set/jorge-dzp-zora.1.gbs
pyqed/qchem/basis_set/jorge-dzp.0.gbs
pyqed/qchem/basis_set/jorge-dzp.1.gbs
pyqed/qchem/basis_set/jorge-qzp-dkh.0.gbs
pyqed/qchem/basis_set/jorge-qzp-dkh.1.gbs
pyqed/qchem/basis_set/jorge-qzp.0.gbs
pyqed/qchem/basis_set/jorge-qzp.1.gbs
pyqed/qchem/basis_set/jorge-tzp-dkh.0.gbs
pyqed/qchem/basis_set/jorge-tzp-dkh.1.gbs
pyqed/qchem/basis_set/jorge-tzp-zora.1.gbs
pyqed/qchem/basis_set/jorge-tzp.0.gbs
pyqed/qchem/basis_set/jorge-tzp.1.gbs
pyqed/qchem/basis_set/jul-cc-pv(d+d)z.0.gbs
pyqed/qchem/basis_set/jul-cc-pv(q+d)z.0.gbs
pyqed/qchem/basis_set/jul-cc-pv(t+d)z.0.gbs
pyqed/qchem/basis_set/jun-cc-pv(d+d)z.0.gbs
pyqed/qchem/basis_set/jun-cc-pv(q+d)z.0.gbs
pyqed/qchem/basis_set/jun-cc-pv(t+d)z.0.gbs
pyqed/qchem/basis_set/koga unpolarized.1.gbs
pyqed/qchem/basis_set/lanl08(d).0.gbs
pyqed/qchem/basis_set/lanl08(f).0.gbs
pyqed/qchem/basis_set/lanl08+.0.gbs
pyqed/qchem/basis_set/lanl08.0.gbs
pyqed/qchem/basis_set/lanl2dz ecp.0.gbs
pyqed/qchem/basis_set/lanl2dz.0.gbs
pyqed/qchem/basis_set/lanl2dzdp.0.gbs
pyqed/qchem/basis_set/lanl2tz(f).0.gbs
pyqed/qchem/basis_set/lanl2tz+.0.gbs
pyqed/qchem/basis_set/lanl2tz.0.gbs
pyqed/qchem/basis_set/m6-31g.0.gbs
pyqed/qchem/basis_set/m6-31g_st_.0.gbs
pyqed/qchem/basis_set/maug-cc-pv(d+d)z.0.gbs
pyqed/qchem/basis_set/maug-cc-pv(q+d)z.0.gbs
pyqed/qchem/basis_set/maug-cc-pv(t+d)z.0.gbs
pyqed/qchem/basis_set/may-cc-pv(q+d)z.0.gbs
pyqed/qchem/basis_set/may-cc-pv(t+d)z.0.gbs
pyqed/qchem/basis_set/midi!.0.gbs
pyqed/qchem/basis_set/midi!.1.gbs
pyqed/qchem/basis_set/midi.0.gbs
pyqed/qchem/basis_set/midix.0.gbs
pyqed/qchem/basis_set/midix.1.gbs
pyqed/qchem/basis_set/mini.0.gbs
pyqed/qchem/basis_set/modified-lanl2dz.0.gbs
pyqed/qchem/basis_set/nasa ames ano.0.gbs
pyqed/qchem/basis_set/nasa ames ano2.0.gbs
pyqed/qchem/basis_set/nasa ames cc-pcv5z.0.gbs
pyqed/qchem/basis_set/nasa ames cc-pcvqz.0.gbs
pyqed/qchem/basis_set/nasa ames cc-pcvtz.0.gbs
pyqed/qchem/basis_set/nasa ames cc-pv5z.0.gbs
pyqed/qchem/basis_set/nasa ames cc-pvqz.0.gbs
pyqed/qchem/basis_set/nasa ames cc-pvtz.0.gbs
pyqed/qchem/basis_set/nlo-v.0.gbs
pyqed/qchem/basis_set/nmr-dkh (tz2p).0.gbs
pyqed/qchem/basis_set/orp.1.gbs
pyqed/qchem/basis_set/partridge uncontracted 1.0.gbs
pyqed/qchem/basis_set/partridge uncontracted 2.0.gbs
pyqed/qchem/basis_set/partridge uncontracted 3.0.gbs
pyqed/qchem/basis_set/partridge uncontracted 4.0.gbs
pyqed/qchem/basis_set/paw-l05.1.gbs
pyqed/qchem/basis_set/paw-l1-contracted.1.gbs
pyqed/qchem/basis_set/paw-l1.1.gbs
pyqed/qchem/basis_set/paw-l2-contracted.1.gbs
pyqed/qchem/basis_set/paw-l2.1.gbs
pyqed/qchem/basis_set/pb4-d.1.gbs
pyqed/qchem/basis_set/pb4-f1.1.gbs
pyqed/qchem/basis_set/pb4-f2.1.gbs
pyqed/qchem/basis_set/pb5-d.1.gbs
pyqed/qchem/basis_set/pb5-f.1.gbs
pyqed/qchem/basis_set/pb5-g.1.gbs
pyqed/qchem/basis_set/pb6-d.1.gbs
pyqed/qchem/basis_set/pb6-f.1.gbs
pyqed/qchem/basis_set/pb6-g.1.gbs
pyqed/qchem/basis_set/pb6-h.1.gbs
pyqed/qchem/basis_set/pc-0.0.gbs
pyqed/qchem/basis_set/pc-1.0.gbs
pyqed/qchem/basis_set/pc-2.0.gbs
pyqed/qchem/basis_set/pc-3.0.gbs
pyqed/qchem/basis_set/pc-4.0.gbs
pyqed/qchem/basis_set/pcemd-2.0.gbs
pyqed/qchem/basis_set/pcemd-3.0.gbs
pyqed/qchem/basis_set/pcemd-4.0.gbs
pyqed/qchem/basis_set/pch-1.1.gbs
pyqed/qchem/basis_set/pch-2.1.gbs
pyqed/qchem/basis_set/pch-3.1.gbs
pyqed/qchem/basis_set/pch-4.1.gbs
pyqed/qchem/basis_set/pcj-0.0.gbs
pyqed/qchem/basis_set/pcj-0.1.gbs
pyqed/qchem/basis_set/pcj-0_2006.0.gbs
pyqed/qchem/basis_set/pcj-1.0.gbs
pyqed/qchem/basis_set/pcj-1.1.gbs
pyqed/qchem/basis_set/pcj-1_2006.0.gbs
pyqed/qchem/basis_set/pcj-2.0.gbs
pyqed/qchem/basis_set/pcj-2.1.gbs
pyqed/qchem/basis_set/pcj-2_2006.0.gbs
pyqed/qchem/basis_set/pcj-3.0.gbs
pyqed/qchem/basis_set/pcj-3.1.gbs
pyqed/qchem/basis_set/pcj-3_2006.0.gbs
pyqed/qchem/basis_set/pcj-4.0.gbs
pyqed/qchem/basis_set/pcj-4.1.gbs
pyqed/qchem/basis_set/pcj-4_2006.0.gbs
pyqed/qchem/basis_set/pcs-0.0.gbs
pyqed/qchem/basis_set/pcs-1.0.gbs
pyqed/qchem/basis_set/pcs-2.0.gbs
pyqed/qchem/basis_set/pcs-3.0.gbs
pyqed/qchem/basis_set/pcs-4.0.gbs
pyqed/qchem/basis_set/pcseg-0.0.gbs
pyqed/qchem/basis_set/pcseg-0.1.gbs
pyqed/qchem/basis_set/pcseg-1.0.gbs
pyqed/qchem/basis_set/pcseg-1.1.gbs
pyqed/qchem/basis_set/pcseg-2.0.gbs
pyqed/qchem/basis_set/pcseg-2.1.gbs
pyqed/qchem/basis_set/pcseg-3.0.gbs
pyqed/qchem/basis_set/pcseg-3.1.gbs
pyqed/qchem/basis_set/pcseg-4.0.gbs
pyqed/qchem/basis_set/pcseg-4.1.gbs
pyqed/qchem/basis_set/pcsseg-0.0.gbs
pyqed/qchem/basis_set/pcsseg-0.1.gbs
pyqed/qchem/basis_set/pcsseg-1.0.gbs
pyqed/qchem/basis_set/pcsseg-1.1.gbs
pyqed/qchem/basis_set/pcsseg-2.0.gbs
pyqed/qchem/basis_set/pcsseg-2.1.gbs
pyqed/qchem/basis_set/pcsseg-3.0.gbs
pyqed/qchem/basis_set/pcsseg-3.1.gbs
pyqed/qchem/basis_set/pcsseg-4.0.gbs
pyqed/qchem/basis_set/pcsseg-4.1.gbs
pyqed/qchem/basis_set/pcx-1.1.gbs
pyqed/qchem/basis_set/pcx-2.1.gbs
pyqed/qchem/basis_set/pcx-3.1.gbs
pyqed/qchem/basis_set/pcx-4.1.gbs
pyqed/qchem/basis_set/pecj-1.1.gbs
pyqed/qchem/basis_set/pecj-2.1.gbs
pyqed/qchem/basis_set/pob-dzvp-rev2.1.gbs
pyqed/qchem/basis_set/pob-tzvp-rev2.1.gbs
pyqed/qchem/basis_set/pob-tzvp.1.gbs
pyqed/qchem/basis_set/psbkjc.0.gbs
pyqed/qchem/basis_set/psx-dz.1.gbs
pyqed/qchem/basis_set/psx-qz.1.gbs
pyqed/qchem/basis_set/psx-tz.1.gbs
pyqed/qchem/basis_set/pt - mdzp.0.gbs
pyqed/qchem/basis_set/pv6z.0.gbs
pyqed/qchem/basis_set/pv7z.0.gbs
pyqed/qchem/basis_set/roos augmented double zeta ano.0.gbs
pyqed/qchem/basis_set/roos augmented triple zeta ano.0.gbs
pyqed/qchem/basis_set/s3-21g.0.gbs
pyqed/qchem/basis_set/s3-21g_st_.0.gbs
pyqed/qchem/basis_set/s6-31g.0.gbs
pyqed/qchem/basis_set/s6-31g_st_.0.gbs
pyqed/qchem/basis_set/sadlej pvtz.0.gbs
pyqed/qchem/basis_set/sadlej pvtz.1.gbs
pyqed/qchem/basis_set/sadlej+.0.gbs
pyqed/qchem/basis_set/sadlej+.1.gbs
pyqed/qchem/basis_set/sap_grasp_large.1.gbs
pyqed/qchem/basis_set/sap_grasp_small.1.gbs
pyqed/qchem/basis_set/sap_helfem_large.1.gbs
pyqed/qchem/basis_set/sap_helfem_small.1.gbs
pyqed/qchem/basis_set/sapporo-dkh3-dzp-2012-diffuse.1.gbs
pyqed/qchem/basis_set/sapporo-dkh3-dzp-2012.1.gbs
pyqed/qchem/basis_set/sapporo-dkh3-dzp-diffuse.1.gbs
pyqed/qchem/basis_set/sapporo-dkh3-dzp.1.gbs
pyqed/qchem/basis_set/sapporo-dkh3-qzp-2012-diffuse.1.gbs
pyqed/qchem/basis_set/sapporo-dkh3-qzp-2012.1.gbs
pyqed/qchem/basis_set/sapporo-dkh3-qzp-diffuse.1.gbs
pyqed/qchem/basis_set/sapporo-dkh3-qzp.1.gbs
pyqed/qchem/basis_set/sapporo-dkh3-tzp-2012-diffuse.1.gbs
pyqed/qchem/basis_set/sapporo-dkh3-tzp-2012.1.gbs
pyqed/qchem/basis_set/sapporo-dkh3-tzp-diffuse.1.gbs
pyqed/qchem/basis_set/sapporo-dkh3-tzp.1.gbs
pyqed/qchem/basis_set/sapporo-dzp-2012-diffuse.1.gbs
pyqed/qchem/basis_set/sapporo-dzp-2012.1.gbs
pyqed/qchem/basis_set/sapporo-dzp-diffuse.1.gbs
pyqed/qchem/basis_set/sapporo-dzp.1.gbs
pyqed/qchem/basis_set/sapporo-qzp-2012-diffuse.1.gbs
pyqed/qchem/basis_set/sapporo-qzp-2012.1.gbs
pyqed/qchem/basis_set/sapporo-qzp-diffuse.1.gbs
pyqed/qchem/basis_set/sapporo-qzp.1.gbs
pyqed/qchem/basis_set/sapporo-tzp-2012-diffuse.1.gbs
pyqed/qchem/basis_set/sapporo-tzp-2012.1.gbs
pyqed/qchem/basis_set/sapporo-tzp-diffuse.1.gbs
pyqed/qchem/basis_set/sapporo-tzp.1.gbs
pyqed/qchem/basis_set/sarc-dkh2.0.gbs
pyqed/qchem/basis_set/sarc-zora.0.gbs
pyqed/qchem/basis_set/sarc2-qzv-dkh2-jkfit.0.gbs
pyqed/qchem/basis_set/sarc2-qzv-dkh2.0.gbs
pyqed/qchem/basis_set/sarc2-qzv-zora-jkfit.0.gbs
pyqed/qchem/basis_set/sarc2-qzv-zora.0.gbs
pyqed/qchem/basis_set/sarc2-qzvp-dkh2-jkfit.0.gbs
pyqed/qchem/basis_set/sarc2-qzvp-dkh2.0.gbs
pyqed/qchem/basis_set/sarc2-qzvp-zora-jkfit.0.gbs
pyqed/qchem/basis_set/sarc2-qzvp-zora.0.gbs
pyqed/qchem/basis_set/saug-ano-pv5z.1.gbs
pyqed/qchem/basis_set/saug-ano-pvdz.1.gbs
pyqed/qchem/basis_set/saug-ano-pvqz.1.gbs
pyqed/qchem/basis_set/saug-ano-pvtz.1.gbs
pyqed/qchem/basis_set/sbkjc polarized (p,2d) - lfk.0.gbs
pyqed/qchem/basis_set/sbkjc-ecp.0.gbs
pyqed/qchem/basis_set/sbkjc-vdz.0.gbs
pyqed/qchem/basis_set/sbo4-dz(d)-3g.1.gbs
pyqed/qchem/basis_set/sbo4-dz(d,p)-3g.1.gbs
pyqed/qchem/basis_set/sbo4-sz-3g.1.gbs
pyqed/qchem/basis_set/scaled mini.0.gbs
pyqed/qchem/basis_set/seg-cc-pv5z-pp.1.gbs
pyqed/qchem/basis_set/seg-cc-pvdz-pp.1.gbs
pyqed/qchem/basis_set/seg-cc-pvqz-pp.1.gbs
pyqed/qchem/basis_set/seg-cc-pvtz-pp.1.gbs
pyqed/qchem/basis_set/seg-cc-pwcv5z-pp.1.gbs
pyqed/qchem/basis_set/seg-cc-pwcvdz-pp.1.gbs
pyqed/qchem/basis_set/seg-cc-pwcvqz-pp.1.gbs
pyqed/qchem/basis_set/seg-cc-pwcvtz-pp.1.gbs
pyqed/qchem/basis_set/sigmadz.1.gbs
pyqed/qchem/basis_set/sigmadzhf.1.gbs
pyqed/qchem/basis_set/sigmaqz.1.gbs
pyqed/qchem/basis_set/sigmaszhf.1.gbs
pyqed/qchem/basis_set/sigmatz.1.gbs
pyqed/qchem/basis_set/sigmatzhf.1.gbs
pyqed/qchem/basis_set/sto-2g.0.gbs
pyqed/qchem/basis_set/sto-2g.1.gbs
pyqed/qchem/basis_set/sto-3g.0.gbs
pyqed/qchem/basis_set/sto-3g.1.gbs
pyqed/qchem/basis_set/sto-3g_st_.0.gbs
pyqed/qchem/basis_set/sto-3g_st_.1.gbs
pyqed/qchem/basis_set/sto-4g.1.gbs
pyqed/qchem/basis_set/sto-5g.1.gbs
pyqed/qchem/basis_set/sto-6g.0.gbs
pyqed/qchem/basis_set/sto-6g.1.gbs
pyqed/qchem/basis_set/stuttgart rlc ecp.0.gbs
pyqed/qchem/basis_set/stuttgart rlc.0.gbs
pyqed/qchem/basis_set/stuttgart rsc 1997 ecp.0.gbs
pyqed/qchem/basis_set/stuttgart rsc 1997.0.gbs
pyqed/qchem/basis_set/stuttgart rsc ano.0.gbs
pyqed/qchem/basis_set/stuttgart rsc segmented + ecp.0.gbs
pyqed/qchem/basis_set/sv (dunning-hay).0.gbs
pyqed/qchem/basis_set/sv + double rydberg (dunning-hay).0.gbs
pyqed/qchem/basis_set/sv + rydberg (dunning-hay).0.gbs
pyqed/qchem/basis_set/svp (dunning-hay).0.gbs
pyqed/qchem/basis_set/svp + diffuse (dunning-hay).0.gbs
pyqed/qchem/basis_set/svp + diffuse + rydberg (dunning-hay).0.gbs
pyqed/qchem/basis_set/svp + rydberg (dunning-hay).0.gbs
pyqed/qchem/basis_set/tz (dunning-hay).0.gbs
pyqed/qchem/basis_set/tzp-zora.1.gbs
pyqed/qchem/basis_set/ugbs.0.gbs
pyqed/qchem/basis_set/un-ccemd-ref.0.gbs
pyqed/qchem/basis_set/un-pcemd-ref.0.gbs
pyqed/qchem/basis_set/wachters+f.0.gbs
pyqed/qchem/basis_set/wtbs.0.gbs
pyqed/qchem/basis_set/x2c-jfit-universal.0.gbs
pyqed/qchem/basis_set/x2c-jfit-universal.1.gbs
pyqed/qchem/basis_set/x2c-jfit.0.gbs
pyqed/qchem/basis_set/x2c-jfit.1.gbs
pyqed/qchem/basis_set/x2c-qzvpall-2c-s.1.gbs
pyqed/qchem/basis_set/x2c-qzvpall-2c.1.gbs
pyqed/qchem/basis_set/x2c-qzvpall-s.1.gbs
pyqed/qchem/basis_set/x2c-qzvpall.1.gbs
pyqed/qchem/basis_set/x2c-qzvppall-2c-s.1.gbs
pyqed/qchem/basis_set/x2c-qzvppall-2c.1.gbs
pyqed/qchem/basis_set/x2c-qzvppall-s.1.gbs
pyqed/qchem/basis_set/x2c-qzvppall.1.gbs
pyqed/qchem/basis_set/x2c-sv(p)all-2c.0.gbs
pyqed/qchem/basis_set/x2c-sv(p)all-s.1.gbs
pyqed/qchem/basis_set/x2c-sv(p)all.0.gbs
pyqed/qchem/basis_set/x2c-svpall-2c.0.gbs
pyqed/qchem/basis_set/x2c-svpall-s.1.gbs
pyqed/qchem/basis_set/x2c-svpall.0.gbs
pyqed/qchem/basis_set/x2c-tzvpall-2c.0.gbs
pyqed/qchem/basis_set/x2c-tzvpall-s.1.gbs
pyqed/qchem/basis_set/x2c-tzvpall.0.gbs
pyqed/qchem/basis_set/x2c-tzvppall-2c.0.gbs
pyqed/qchem/basis_set/x2c-tzvppall-s.1.gbs
pyqed/qchem/basis_set/x2c-tzvppall.0.gbs
pyqed/qchem/ci/__init__.py
pyqed/qchem/ci/ci_overlap.py
pyqed/qchem/ci/cis.py
pyqed/qchem/ci/cisd.py
pyqed/qchem/ci/cisd_overlap.py
pyqed/qchem/ci/fci.py
pyqed/qchem/ci/noci.py
pyqed/qchem/dft/__init__.py
pyqed/qchem/dft/geomopt.py
pyqed/qchem/dft/grad.py
pyqed/qchem/dft/grid.py
pyqed/qchem/dft/hessian.py
pyqed/qchem/dft/rks.py
pyqed/qchem/dft/scf.py
pyqed/qchem/dft/xc.py
pyqed/qchem/dmrg/__init__.py
pyqed/qchem/dmrg/dmrg.py
pyqed/qchem/dmrg/dmrg_TBE.py
pyqed/qchem/dmrg/dmrg_dvr.py
pyqed/qchem/dmrg/dmrgscf.py
pyqed/qchem/dmrg/dmrgscf_bak.py
pyqed/qchem/dmrg/ed.py
pyqed/qchem/dmrg/nonabelian.py
pyqed/qchem/dmrg/overlap.py
pyqed/qchem/dmrg/spatial_mpo.py
pyqed/qchem/dmrg/spatial_terms.py
pyqed/qchem/dmrg/tddmrg.py
pyqed/qchem/dmrg/backends/__init__.py
pyqed/qchem/dmrg/backends/nonabelian.py
pyqed/qchem/dmrg/backends/reduced.py
pyqed/qchem/dvr/__init__.py
pyqed/qchem/dvr/casci.py
pyqed/qchem/dvr/dmrg.py
pyqed/qchem/dvr/fci.py
pyqed/qchem/dvr/mol.py
pyqed/qchem/dvr/rhf.py
pyqed/qchem/dvr/rks.py
pyqed/qchem/gdvr/__init__.py
pyqed/qchem/gdvr/gdvr_dmrg_with_recontracted_lo.py
pyqed/qchem/gdvr/integrals.py
pyqed/qchem/gdvr/newton.py
pyqed/qchem/gdvr/rhf.py
pyqed/qchem/gdvr/rttdhf.py
pyqed/qchem/gdvr/tddmrg.py
pyqed/qchem/grad/__init__.py
pyqed/qchem/grad/sacasscf.py
pyqed/qchem/gto/FCI.py
pyqed/qchem/gto/__init__.py
pyqed/qchem/gto/cas.py
pyqed/qchem/gto/ci_overlap.py
pyqed/qchem/gto/cisd_overlap.py
pyqed/qchem/gto/core.py
pyqed/qchem/gto/current_density.py
pyqed/qchem/gto/density.py
pyqed/qchem/gto/dyson.py
pyqed/qchem/gto/force.py
pyqed/qchem/gto/hessian.py
pyqed/qchem/gto/plt.py
pyqed/qchem/gto/rhf.py
pyqed/qchem/gto/soc.py
pyqed/qchem/gto/uhf.py
pyqed/qchem/hf/__init__.py
pyqed/qchem/hf/analysis.py
pyqed/qchem/hf/hessian.py
pyqed/qchem/hf/rhf.py
pyqed/qchem/hf/uhf.py
pyqed/qchem/jordan_wigner/__init__.py
pyqed/qchem/jordan_wigner/spinful.py
pyqed/qchem/jordan_wigner/spinless.py
pyqed/qchem/mcscf/__init__.py
pyqed/qchem/mcscf/casci.py
pyqed/qchem/mcscf/casscf.py
pyqed/qchem/mcscf/casscf_tbe.py
pyqed/qchem/mcscf/cocas.py
pyqed/qchem/mcscf/cocasci.py
pyqed/qchem/mcscf/direct_ci.py
pyqed/qchem/mcscf/orbopt.py
pyqed/qchem/mcscf/reduced_ci.py
pyqed/qchem/mcscf/soc_si.py
pyqed/qchem/mcscf/zvector.py
pyqed/qchem/mp/__init__.py
pyqed/qchem/mp/mp2.py
pyqed/qchem/nac/__init__.py
pyqed/qchem/nac/sacasscf.py
pyqed/qchem/pbc/__init__.py
pyqed/qchem/pbc/cell.py
pyqed/qchem/pbc/chain.py
pyqed/qchem/pbc/ewald.py
pyqed/qchem/pbc/pbc.py
pyqed/qchem/pbc/hf/__init__.py
pyqed/qchem/pbc/hf/ewald_rhf.py
pyqed/qchem/pbc/hf/rhf.py
pyqed/qchem/qmmm/__init__.py
pyqed/qchem/qmmm/pme.py
pyqed/qchem/qmmm/qmmmscf.py
pyqed/qchem/relativistic/__init__.py
pyqed/qchem/relativistic/x2c.py
pyqed/qchem/semiempirical/__init__.py
pyqed/qchem/semiempirical/am1.py
pyqed/qchem/semiempirical/om2.py
pyqed/qchem/semiempirical/om2_benchmarks.py
pyqed/qchem/semiempirical/untitled0.py
pyqed/qchem/solvent/__init__.py
pyqed/qchem/solvent/_attach_solvent.py
pyqed/qchem/solvent/pcm.py
pyqed/qchem/tools/__init__.py
pyqed/qchem/tools/cubegen.py
pyqed/qchem/tools/density.py
pyqed/qchem/tools/view.py
pyqed/signal/2DES.py
pyqed/signal/ETPA.py
pyqed/signal/__init__.py
pyqed/signal/liouville.py
pyqed/signal/nlo.py
pyqed/signal/nonhermitian.py
pyqed/signal/sos.py
tests/test_release_smoke.py