LICENSE
MANIFEST.in
Makefile
setup.py
bin/python4lotus
include_hpp/Charge.hpp
include_hpp/DFT_func.hpp
include_hpp/ECP_tmpl.hpp
include_hpp/Fock1e_tmpl.hpp
include_hpp/Fock2e_tmpl.hpp
include_hpp/GInte_Functor.hpp
include_hpp/Gradient.hpp
include_hpp/Grid.hpp
include_hpp/Grid_Inte.hpp
include_hpp/Lotus_core.hpp
include_hpp/Lotus_lapack.h
include_hpp/Matrixs_tmpl.hpp
include_hpp/Mixin_core.hpp
include_hpp/SCF.hpp
include_hpp/Util.hpp
include_hpp/Util_MPI.hpp
include_hpp/Util_PBC.hpp
include_hpp/gto.hpp
include_hpp/Eigen/Array
include_hpp/Eigen/CMakeLists.txt
include_hpp/Eigen/COPYING.MPL2
include_hpp/Eigen/COPYING.README
include_hpp/Eigen/Cholesky
include_hpp/Eigen/CholmodSupport
include_hpp/Eigen/Core
include_hpp/Eigen/Dense
include_hpp/Eigen/Eigen
include_hpp/Eigen/Eigen2Support
include_hpp/Eigen/Eigenvalues
include_hpp/Eigen/Geometry
include_hpp/Eigen/Householder
include_hpp/Eigen/IterativeLinearSolvers
include_hpp/Eigen/Jacobi
include_hpp/Eigen/LU
include_hpp/Eigen/LeastSquares
include_hpp/Eigen/MetisSupport
include_hpp/Eigen/OrderingMethods
include_hpp/Eigen/PaStiXSupport
include_hpp/Eigen/PardisoSupport
include_hpp/Eigen/QR
include_hpp/Eigen/QtAlignedMalloc
include_hpp/Eigen/SPQRSupport
include_hpp/Eigen/SVD
include_hpp/Eigen/Sparse
include_hpp/Eigen/SparseCholesky
include_hpp/Eigen/SparseCore
include_hpp/Eigen/SparseLU
include_hpp/Eigen/SparseQR
include_hpp/Eigen/StdDeque
include_hpp/Eigen/StdList
include_hpp/Eigen/StdVector
include_hpp/Eigen/SuperLUSupport
include_hpp/Eigen/UmfPackSupport
include_hpp/Eigen/src/CMakeLists.txt
include_hpp/Eigen/src/Cholesky/CMakeLists.txt
include_hpp/Eigen/src/Cholesky/LDLT.h
include_hpp/Eigen/src/Cholesky/LLT.h
include_hpp/Eigen/src/Cholesky/LLT_MKL.h
include_hpp/Eigen/src/CholmodSupport/CMakeLists.txt
include_hpp/Eigen/src/CholmodSupport/CholmodSupport.h
include_hpp/Eigen/src/Core/Array.h
include_hpp/Eigen/src/Core/ArrayBase.h
include_hpp/Eigen/src/Core/ArrayWrapper.h
include_hpp/Eigen/src/Core/Assign.h
include_hpp/Eigen/src/Core/Assign_MKL.h
include_hpp/Eigen/src/Core/BandMatrix.h
include_hpp/Eigen/src/Core/Block.h
include_hpp/Eigen/src/Core/BooleanRedux.h
include_hpp/Eigen/src/Core/CMakeLists.txt
include_hpp/Eigen/src/Core/CommaInitializer.h
include_hpp/Eigen/src/Core/CoreIterators.h
include_hpp/Eigen/src/Core/CwiseBinaryOp.h
include_hpp/Eigen/src/Core/CwiseNullaryOp.h
include_hpp/Eigen/src/Core/CwiseUnaryOp.h
include_hpp/Eigen/src/Core/CwiseUnaryView.h
include_hpp/Eigen/src/Core/DenseBase.h
include_hpp/Eigen/src/Core/DenseCoeffsBase.h
include_hpp/Eigen/src/Core/DenseStorage.h
include_hpp/Eigen/src/Core/Diagonal.h
include_hpp/Eigen/src/Core/DiagonalMatrix.h
include_hpp/Eigen/src/Core/DiagonalProduct.h
include_hpp/Eigen/src/Core/Dot.h
include_hpp/Eigen/src/Core/EigenBase.h
include_hpp/Eigen/src/Core/Flagged.h
include_hpp/Eigen/src/Core/ForceAlignedAccess.h
include_hpp/Eigen/src/Core/Functors.h
include_hpp/Eigen/src/Core/Fuzzy.h
include_hpp/Eigen/src/Core/GeneralProduct.h
include_hpp/Eigen/src/Core/GenericPacketMath.h
include_hpp/Eigen/src/Core/GlobalFunctions.h
include_hpp/Eigen/src/Core/IO.h
include_hpp/Eigen/src/Core/Map.h
include_hpp/Eigen/src/Core/MapBase.h
include_hpp/Eigen/src/Core/MathFunctions.h
include_hpp/Eigen/src/Core/Matrix.h
include_hpp/Eigen/src/Core/MatrixBase.h
include_hpp/Eigen/src/Core/NestByValue.h
include_hpp/Eigen/src/Core/NoAlias.h
include_hpp/Eigen/src/Core/NumTraits.h
include_hpp/Eigen/src/Core/PermutationMatrix.h
include_hpp/Eigen/src/Core/PlainObjectBase.h
include_hpp/Eigen/src/Core/ProductBase.h
include_hpp/Eigen/src/Core/Random.h
include_hpp/Eigen/src/Core/Redux.h
include_hpp/Eigen/src/Core/Ref.h
include_hpp/Eigen/src/Core/Replicate.h
include_hpp/Eigen/src/Core/ReturnByValue.h
include_hpp/Eigen/src/Core/Reverse.h
include_hpp/Eigen/src/Core/Select.h
include_hpp/Eigen/src/Core/SelfAdjointView.h
include_hpp/Eigen/src/Core/SelfCwiseBinaryOp.h
include_hpp/Eigen/src/Core/SolveTriangular.h
include_hpp/Eigen/src/Core/StableNorm.h
include_hpp/Eigen/src/Core/Stride.h
include_hpp/Eigen/src/Core/Swap.h
include_hpp/Eigen/src/Core/Transpose.h
include_hpp/Eigen/src/Core/Transpositions.h
include_hpp/Eigen/src/Core/TriangularMatrix.h
include_hpp/Eigen/src/Core/VectorBlock.h
include_hpp/Eigen/src/Core/VectorwiseOp.h
include_hpp/Eigen/src/Core/Visitor.h
include_hpp/Eigen/src/Core/arch/CMakeLists.txt
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include_hpp/Eigen/src/Core/products/CMakeLists.txt
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include_hpp/Eigen/src/Core/products/GeneralBlockPanelKernel.h
include_hpp/Eigen/src/Core/products/GeneralMatrixMatrix.h
include_hpp/Eigen/src/Core/products/GeneralMatrixMatrixTriangular.h
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include_hpp/Eigen/src/Core/products/SelfadjointMatrixMatrix.h
include_hpp/Eigen/src/Core/products/SelfadjointMatrixMatrix_MKL.h
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include_hpp/Eigen/src/Core/products/SelfadjointProduct.h
include_hpp/Eigen/src/Core/products/SelfadjointRank2Update.h
include_hpp/Eigen/src/Core/products/TriangularMatrixMatrix.h
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include_hpp/Eigen/src/Core/products/TriangularMatrixVector.h
include_hpp/Eigen/src/Core/products/TriangularMatrixVector_MKL.h
include_hpp/Eigen/src/Core/products/TriangularSolverMatrix.h
include_hpp/Eigen/src/Core/products/TriangularSolverMatrix_MKL.h
include_hpp/Eigen/src/Core/products/TriangularSolverVector.h
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include_hpp/Eigen/src/Core/util/DisableStupidWarnings.h
include_hpp/Eigen/src/Core/util/ForwardDeclarations.h
include_hpp/Eigen/src/Core/util/MKL_support.h
include_hpp/Eigen/src/Core/util/Macros.h
include_hpp/Eigen/src/Core/util/Memory.h
include_hpp/Eigen/src/Core/util/Meta.h
include_hpp/Eigen/src/Core/util/NonMPL2.h
include_hpp/Eigen/src/Core/util/ReenableStupidWarnings.h
include_hpp/Eigen/src/Core/util/StaticAssert.h
include_hpp/Eigen/src/Core/util/XprHelper.h
include_hpp/Eigen/src/Eigen2Support/Block.h
include_hpp/Eigen/src/Eigen2Support/CMakeLists.txt
include_hpp/Eigen/src/Eigen2Support/Cwise.h
include_hpp/Eigen/src/Eigen2Support/CwiseOperators.h
include_hpp/Eigen/src/Eigen2Support/LU.h
include_hpp/Eigen/src/Eigen2Support/Lazy.h
include_hpp/Eigen/src/Eigen2Support/LeastSquares.h
include_hpp/Eigen/src/Eigen2Support/Macros.h
include_hpp/Eigen/src/Eigen2Support/MathFunctions.h
include_hpp/Eigen/src/Eigen2Support/Memory.h
include_hpp/Eigen/src/Eigen2Support/Meta.h
include_hpp/Eigen/src/Eigen2Support/Minor.h
include_hpp/Eigen/src/Eigen2Support/QR.h
include_hpp/Eigen/src/Eigen2Support/SVD.h
include_hpp/Eigen/src/Eigen2Support/TriangularSolver.h
include_hpp/Eigen/src/Eigen2Support/VectorBlock.h
include_hpp/Eigen/src/Eigen2Support/Geometry/AlignedBox.h
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include_hpp/Eigen/src/Eigen2Support/Geometry/AngleAxis.h
include_hpp/Eigen/src/Eigen2Support/Geometry/CMakeLists.txt
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include_hpp/Eigen/src/Eigen2Support/Geometry/ParametrizedLine.h
include_hpp/Eigen/src/Eigen2Support/Geometry/Quaternion.h
include_hpp/Eigen/src/Eigen2Support/Geometry/Rotation2D.h
include_hpp/Eigen/src/Eigen2Support/Geometry/RotationBase.h
include_hpp/Eigen/src/Eigen2Support/Geometry/Scaling.h
include_hpp/Eigen/src/Eigen2Support/Geometry/Transform.h
include_hpp/Eigen/src/Eigen2Support/Geometry/Translation.h
include_hpp/Eigen/src/Eigenvalues/CMakeLists.txt
include_hpp/Eigen/src/Eigenvalues/ComplexEigenSolver.h
include_hpp/Eigen/src/Eigenvalues/ComplexSchur.h
include_hpp/Eigen/src/Eigenvalues/ComplexSchur_MKL.h
include_hpp/Eigen/src/Eigenvalues/EigenSolver.h
include_hpp/Eigen/src/Eigenvalues/GeneralizedEigenSolver.h
include_hpp/Eigen/src/Eigenvalues/GeneralizedSelfAdjointEigenSolver.h
include_hpp/Eigen/src/Eigenvalues/HessenbergDecomposition.h
include_hpp/Eigen/src/Eigenvalues/MatrixBaseEigenvalues.h
include_hpp/Eigen/src/Eigenvalues/RealQZ.h
include_hpp/Eigen/src/Eigenvalues/RealSchur.h
include_hpp/Eigen/src/Eigenvalues/RealSchur_MKL.h
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include_hpp/Eigen/src/Geometry/AlignedBox.h
include_hpp/Eigen/src/Geometry/AngleAxis.h
include_hpp/Eigen/src/Geometry/CMakeLists.txt
include_hpp/Eigen/src/Geometry/EulerAngles.h
include_hpp/Eigen/src/Geometry/Homogeneous.h
include_hpp/Eigen/src/Geometry/Hyperplane.h
include_hpp/Eigen/src/Geometry/OrthoMethods.h
include_hpp/Eigen/src/Geometry/ParametrizedLine.h
include_hpp/Eigen/src/Geometry/Quaternion.h
include_hpp/Eigen/src/Geometry/Rotation2D.h
include_hpp/Eigen/src/Geometry/RotationBase.h
include_hpp/Eigen/src/Geometry/Scaling.h
include_hpp/Eigen/src/Geometry/Transform.h
include_hpp/Eigen/src/Geometry/Translation.h
include_hpp/Eigen/src/Geometry/Umeyama.h
include_hpp/Eigen/src/Geometry/arch/CMakeLists.txt
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include_hpp/Eigen/src/Householder/BlockHouseholder.h
include_hpp/Eigen/src/Householder/CMakeLists.txt
include_hpp/Eigen/src/Householder/Householder.h
include_hpp/Eigen/src/Householder/HouseholderSequence.h
include_hpp/Eigen/src/IterativeLinearSolvers/BasicPreconditioners.h
include_hpp/Eigen/src/IterativeLinearSolvers/BiCGSTAB.h
include_hpp/Eigen/src/IterativeLinearSolvers/CMakeLists.txt
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include_hpp/Eigen/src/IterativeLinearSolvers/IncompleteLUT.h
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include_hpp/Eigen/src/Jacobi/CMakeLists.txt
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include_hpp/Eigen/src/LU/CMakeLists.txt
include_hpp/Eigen/src/LU/Determinant.h
include_hpp/Eigen/src/LU/FullPivLU.h
include_hpp/Eigen/src/LU/Inverse.h
include_hpp/Eigen/src/LU/PartialPivLU.h
include_hpp/Eigen/src/LU/PartialPivLU_MKL.h
include_hpp/Eigen/src/LU/arch/CMakeLists.txt
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include_hpp/Eigen/src/MetisSupport/CMakeLists.txt
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include_hpp/Eigen/src/PaStiXSupport/CMakeLists.txt
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include_hpp/Eigen/src/misc/CMakeLists.txt
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include_hpp/Eigen/src/misc/Kernel.h
include_hpp/Eigen/src/misc/Solve.h
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include_hpp/detail/ECP_detail.hpp
include_hpp/detail/Fock1e_detail.hpp
include_hpp/detail/Fock2e_detail.hpp
include_hpp/detail/Gradient_detail.hpp
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lotus_core/basis_DATA/cc-pvdz-dk.basis
lotus_core/basis_DATA/cc-pvdz-ri.basis
lotus_core/basis_DATA/cc-pvdz.basis
lotus_core/basis_DATA/cc-pvqz-dk.basis
lotus_core/basis_DATA/cc-pvqz-ri.basis
lotus_core/basis_DATA/cc-pvqz.basis
lotus_core/basis_DATA/cc-pvtz-dk.basis
lotus_core/basis_DATA/cc-pvtz-ri.basis
lotus_core/basis_DATA/cc-pvtz.basis
lotus_core/basis_DATA/def2-sv_p.basis
lotus_core/basis_DATA/def2-svp.basis
lotus_core/basis_DATA/def2-svpd.basis
lotus_core/basis_DATA/def2-tzvp.basis
lotus_core/basis_DATA/def2-tzvpd.basis
lotus_core/basis_DATA/def2-tzvpp.basis
lotus_core/basis_DATA/def2-tzvppd.basis
lotus_core/basis_DATA/dgauss_a2_dft_coulomb_fitting.basis
lotus_core/basis_DATA/lanl2dz.basis
lotus_core/basis_DATA/lanl2tz.basis
lotus_core/basis_DATA/mini.basis
lotus_core/basis_DATA/ri_pbc.basis
lotus_core/basis_DATA/sadlej_pvtz.basis
lotus_core/basis_DATA/sapporo-dk-dzp-2012+diffuse.basis
lotus_core/basis_DATA/sapporo-dk-dzp-2012.basis
lotus_core/basis_DATA/sapporo-dk-qzp-2012+diffuse.basis
lotus_core/basis_DATA/sapporo-dk-qzp-2012.basis
lotus_core/basis_DATA/sapporo-dk-tzp-2012+diffuse.basis
lotus_core/basis_DATA/sapporo-dk-tzp-2012.basis
lotus_core/basis_DATA/sapporo-dzp-2012+diffuse.basis
lotus_core/basis_DATA/sapporo-dzp-2012.basis
lotus_core/basis_DATA/sapporo-qzp-2012+diffuse.basis
lotus_core/basis_DATA/sapporo-qzp-2012.basis
lotus_core/basis_DATA/sapporo-tzp-2012+diffuse.basis
lotus_core/basis_DATA/sapporo-tzp-2012.basis
lotus_core/basis_DATA/sarc-zora.basis
lotus_core/basis_DATA/sbkjc_vdz.basis
lotus_core/basis_DATA/sto-3g.basis
lotus_core/basis_DATA/sto-6g.basis
lotus_core/basis_DATA/sv.basis
lotus_core/basis_DATA/svp.basis
lotus_core/basis_DATA/tz_dunning.basis
lotus_core/basis_DATA/ugbs.basis
lotus_core/basis_DATA/wtbs.basis
lotus_core/include_hpp/Charge.hpp
lotus_core/include_hpp/DFT_func.hpp
lotus_core/include_hpp/ECP_tmpl.hpp
lotus_core/include_hpp/Fock1e_tmpl.hpp
lotus_core/include_hpp/Fock2e_tmpl.hpp
lotus_core/include_hpp/GInte_Functor.hpp
lotus_core/include_hpp/Gradient.hpp
lotus_core/include_hpp/Grid.hpp
lotus_core/include_hpp/Grid_Inte.hpp
lotus_core/include_hpp/Lotus_core.hpp
lotus_core/include_hpp/Lotus_lapack.h
lotus_core/include_hpp/Matrixs_tmpl.hpp
lotus_core/include_hpp/Mixin_core.hpp
lotus_core/include_hpp/SCF.hpp
lotus_core/include_hpp/Util.hpp
lotus_core/include_hpp/Util_MPI.hpp
lotus_core/include_hpp/Util_PBC.hpp
lotus_core/include_hpp/gto.hpp
lotus_core/include_hpp/Eigen/Array
lotus_core/include_hpp/Eigen/CMakeLists.txt
lotus_core/include_hpp/Eigen/COPYING.MPL2
lotus_core/include_hpp/Eigen/COPYING.README
lotus_core/include_hpp/Eigen/Cholesky
lotus_core/include_hpp/Eigen/CholmodSupport
lotus_core/include_hpp/Eigen/Core
lotus_core/include_hpp/Eigen/Dense
lotus_core/include_hpp/Eigen/Eigen
lotus_core/include_hpp/Eigen/Eigen2Support
lotus_core/include_hpp/Eigen/Eigenvalues
lotus_core/include_hpp/Eigen/Geometry
lotus_core/include_hpp/Eigen/Householder
lotus_core/include_hpp/Eigen/IterativeLinearSolvers
lotus_core/include_hpp/Eigen/Jacobi
lotus_core/include_hpp/Eigen/LU
lotus_core/include_hpp/Eigen/LeastSquares
lotus_core/include_hpp/Eigen/MetisSupport
lotus_core/include_hpp/Eigen/OrderingMethods
lotus_core/include_hpp/Eigen/PaStiXSupport
lotus_core/include_hpp/Eigen/PardisoSupport
lotus_core/include_hpp/Eigen/QR
lotus_core/include_hpp/Eigen/QtAlignedMalloc
lotus_core/include_hpp/Eigen/SPQRSupport
lotus_core/include_hpp/Eigen/SVD
lotus_core/include_hpp/Eigen/Sparse
lotus_core/include_hpp/Eigen/SparseCholesky
lotus_core/include_hpp/Eigen/SparseCore
lotus_core/include_hpp/Eigen/SparseLU
lotus_core/include_hpp/Eigen/SparseQR
lotus_core/include_hpp/Eigen/StdDeque
lotus_core/include_hpp/Eigen/StdList
lotus_core/include_hpp/Eigen/StdVector
lotus_core/include_hpp/Eigen/SuperLUSupport
lotus_core/include_hpp/Eigen/UmfPackSupport
lotus_core/include_hpp/Eigen/src/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Cholesky/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Cholesky/LDLT.h
lotus_core/include_hpp/Eigen/src/Cholesky/LLT.h
lotus_core/include_hpp/Eigen/src/Cholesky/LLT_MKL.h
lotus_core/include_hpp/Eigen/src/CholmodSupport/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/CholmodSupport/CholmodSupport.h
lotus_core/include_hpp/Eigen/src/Core/Array.h
lotus_core/include_hpp/Eigen/src/Core/ArrayBase.h
lotus_core/include_hpp/Eigen/src/Core/ArrayWrapper.h
lotus_core/include_hpp/Eigen/src/Core/Assign.h
lotus_core/include_hpp/Eigen/src/Core/Assign_MKL.h
lotus_core/include_hpp/Eigen/src/Core/BandMatrix.h
lotus_core/include_hpp/Eigen/src/Core/Block.h
lotus_core/include_hpp/Eigen/src/Core/BooleanRedux.h
lotus_core/include_hpp/Eigen/src/Core/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Core/CommaInitializer.h
lotus_core/include_hpp/Eigen/src/Core/CoreIterators.h
lotus_core/include_hpp/Eigen/src/Core/CwiseBinaryOp.h
lotus_core/include_hpp/Eigen/src/Core/CwiseNullaryOp.h
lotus_core/include_hpp/Eigen/src/Core/CwiseUnaryOp.h
lotus_core/include_hpp/Eigen/src/Core/CwiseUnaryView.h
lotus_core/include_hpp/Eigen/src/Core/DenseBase.h
lotus_core/include_hpp/Eigen/src/Core/DenseCoeffsBase.h
lotus_core/include_hpp/Eigen/src/Core/DenseStorage.h
lotus_core/include_hpp/Eigen/src/Core/Diagonal.h
lotus_core/include_hpp/Eigen/src/Core/DiagonalMatrix.h
lotus_core/include_hpp/Eigen/src/Core/DiagonalProduct.h
lotus_core/include_hpp/Eigen/src/Core/Dot.h
lotus_core/include_hpp/Eigen/src/Core/EigenBase.h
lotus_core/include_hpp/Eigen/src/Core/Flagged.h
lotus_core/include_hpp/Eigen/src/Core/ForceAlignedAccess.h
lotus_core/include_hpp/Eigen/src/Core/Functors.h
lotus_core/include_hpp/Eigen/src/Core/Fuzzy.h
lotus_core/include_hpp/Eigen/src/Core/GeneralProduct.h
lotus_core/include_hpp/Eigen/src/Core/GenericPacketMath.h
lotus_core/include_hpp/Eigen/src/Core/GlobalFunctions.h
lotus_core/include_hpp/Eigen/src/Core/IO.h
lotus_core/include_hpp/Eigen/src/Core/Map.h
lotus_core/include_hpp/Eigen/src/Core/MapBase.h
lotus_core/include_hpp/Eigen/src/Core/MathFunctions.h
lotus_core/include_hpp/Eigen/src/Core/Matrix.h
lotus_core/include_hpp/Eigen/src/Core/MatrixBase.h
lotus_core/include_hpp/Eigen/src/Core/NestByValue.h
lotus_core/include_hpp/Eigen/src/Core/NoAlias.h
lotus_core/include_hpp/Eigen/src/Core/NumTraits.h
lotus_core/include_hpp/Eigen/src/Core/PermutationMatrix.h
lotus_core/include_hpp/Eigen/src/Core/PlainObjectBase.h
lotus_core/include_hpp/Eigen/src/Core/ProductBase.h
lotus_core/include_hpp/Eigen/src/Core/Random.h
lotus_core/include_hpp/Eigen/src/Core/Redux.h
lotus_core/include_hpp/Eigen/src/Core/Ref.h
lotus_core/include_hpp/Eigen/src/Core/Replicate.h
lotus_core/include_hpp/Eigen/src/Core/ReturnByValue.h
lotus_core/include_hpp/Eigen/src/Core/Reverse.h
lotus_core/include_hpp/Eigen/src/Core/Select.h
lotus_core/include_hpp/Eigen/src/Core/SelfAdjointView.h
lotus_core/include_hpp/Eigen/src/Core/SelfCwiseBinaryOp.h
lotus_core/include_hpp/Eigen/src/Core/SolveTriangular.h
lotus_core/include_hpp/Eigen/src/Core/StableNorm.h
lotus_core/include_hpp/Eigen/src/Core/Stride.h
lotus_core/include_hpp/Eigen/src/Core/Swap.h
lotus_core/include_hpp/Eigen/src/Core/Transpose.h
lotus_core/include_hpp/Eigen/src/Core/Transpositions.h
lotus_core/include_hpp/Eigen/src/Core/TriangularMatrix.h
lotus_core/include_hpp/Eigen/src/Core/VectorBlock.h
lotus_core/include_hpp/Eigen/src/Core/VectorwiseOp.h
lotus_core/include_hpp/Eigen/src/Core/Visitor.h
lotus_core/include_hpp/Eigen/src/Core/arch/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Core/arch/AltiVec/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Core/arch/AltiVec/Complex.h
lotus_core/include_hpp/Eigen/src/Core/arch/AltiVec/PacketMath.h
lotus_core/include_hpp/Eigen/src/Core/arch/Default/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Core/arch/Default/Settings.h
lotus_core/include_hpp/Eigen/src/Core/arch/NEON/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Core/arch/NEON/Complex.h
lotus_core/include_hpp/Eigen/src/Core/arch/NEON/PacketMath.h
lotus_core/include_hpp/Eigen/src/Core/arch/SSE/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Core/arch/SSE/Complex.h
lotus_core/include_hpp/Eigen/src/Core/arch/SSE/MathFunctions.h
lotus_core/include_hpp/Eigen/src/Core/arch/SSE/PacketMath.h
lotus_core/include_hpp/Eigen/src/Core/products/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Core/products/CoeffBasedProduct.h
lotus_core/include_hpp/Eigen/src/Core/products/GeneralBlockPanelKernel.h
lotus_core/include_hpp/Eigen/src/Core/products/GeneralMatrixMatrix.h
lotus_core/include_hpp/Eigen/src/Core/products/GeneralMatrixMatrixTriangular.h
lotus_core/include_hpp/Eigen/src/Core/products/GeneralMatrixMatrixTriangular_MKL.h
lotus_core/include_hpp/Eigen/src/Core/products/GeneralMatrixMatrix_MKL.h
lotus_core/include_hpp/Eigen/src/Core/products/GeneralMatrixVector.h
lotus_core/include_hpp/Eigen/src/Core/products/GeneralMatrixVector_MKL.h
lotus_core/include_hpp/Eigen/src/Core/products/Parallelizer.h
lotus_core/include_hpp/Eigen/src/Core/products/SelfadjointMatrixMatrix.h
lotus_core/include_hpp/Eigen/src/Core/products/SelfadjointMatrixMatrix_MKL.h
lotus_core/include_hpp/Eigen/src/Core/products/SelfadjointMatrixVector.h
lotus_core/include_hpp/Eigen/src/Core/products/SelfadjointMatrixVector_MKL.h
lotus_core/include_hpp/Eigen/src/Core/products/SelfadjointProduct.h
lotus_core/include_hpp/Eigen/src/Core/products/SelfadjointRank2Update.h
lotus_core/include_hpp/Eigen/src/Core/products/TriangularMatrixMatrix.h
lotus_core/include_hpp/Eigen/src/Core/products/TriangularMatrixMatrix_MKL.h
lotus_core/include_hpp/Eigen/src/Core/products/TriangularMatrixVector.h
lotus_core/include_hpp/Eigen/src/Core/products/TriangularMatrixVector_MKL.h
lotus_core/include_hpp/Eigen/src/Core/products/TriangularSolverMatrix.h
lotus_core/include_hpp/Eigen/src/Core/products/TriangularSolverMatrix_MKL.h
lotus_core/include_hpp/Eigen/src/Core/products/TriangularSolverVector.h
lotus_core/include_hpp/Eigen/src/Core/util/BlasUtil.h
lotus_core/include_hpp/Eigen/src/Core/util/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Core/util/Constants.h
lotus_core/include_hpp/Eigen/src/Core/util/DisableStupidWarnings.h
lotus_core/include_hpp/Eigen/src/Core/util/ForwardDeclarations.h
lotus_core/include_hpp/Eigen/src/Core/util/MKL_support.h
lotus_core/include_hpp/Eigen/src/Core/util/Macros.h
lotus_core/include_hpp/Eigen/src/Core/util/Memory.h
lotus_core/include_hpp/Eigen/src/Core/util/Meta.h
lotus_core/include_hpp/Eigen/src/Core/util/NonMPL2.h
lotus_core/include_hpp/Eigen/src/Core/util/ReenableStupidWarnings.h
lotus_core/include_hpp/Eigen/src/Core/util/StaticAssert.h
lotus_core/include_hpp/Eigen/src/Core/util/XprHelper.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Block.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Eigen2Support/Cwise.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/CwiseOperators.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/LU.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Lazy.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/LeastSquares.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Macros.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/MathFunctions.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Memory.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Meta.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Minor.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/QR.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/SVD.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/TriangularSolver.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/VectorBlock.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Geometry/AlignedBox.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Geometry/All.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Geometry/AngleAxis.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Geometry/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Eigen2Support/Geometry/Hyperplane.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Geometry/ParametrizedLine.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Geometry/Quaternion.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Geometry/Rotation2D.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Geometry/RotationBase.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Geometry/Scaling.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Geometry/Transform.h
lotus_core/include_hpp/Eigen/src/Eigen2Support/Geometry/Translation.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Eigenvalues/ComplexEigenSolver.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/ComplexSchur.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/ComplexSchur_MKL.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/EigenSolver.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/GeneralizedEigenSolver.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/GeneralizedSelfAdjointEigenSolver.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/HessenbergDecomposition.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/MatrixBaseEigenvalues.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/RealQZ.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/RealSchur.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/RealSchur_MKL.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/SelfAdjointEigenSolver.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/SelfAdjointEigenSolver_MKL.h
lotus_core/include_hpp/Eigen/src/Eigenvalues/Tridiagonalization.h
lotus_core/include_hpp/Eigen/src/Geometry/AlignedBox.h
lotus_core/include_hpp/Eigen/src/Geometry/AngleAxis.h
lotus_core/include_hpp/Eigen/src/Geometry/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Geometry/EulerAngles.h
lotus_core/include_hpp/Eigen/src/Geometry/Homogeneous.h
lotus_core/include_hpp/Eigen/src/Geometry/Hyperplane.h
lotus_core/include_hpp/Eigen/src/Geometry/OrthoMethods.h
lotus_core/include_hpp/Eigen/src/Geometry/ParametrizedLine.h
lotus_core/include_hpp/Eigen/src/Geometry/Quaternion.h
lotus_core/include_hpp/Eigen/src/Geometry/Rotation2D.h
lotus_core/include_hpp/Eigen/src/Geometry/RotationBase.h
lotus_core/include_hpp/Eigen/src/Geometry/Scaling.h
lotus_core/include_hpp/Eigen/src/Geometry/Transform.h
lotus_core/include_hpp/Eigen/src/Geometry/Translation.h
lotus_core/include_hpp/Eigen/src/Geometry/Umeyama.h
lotus_core/include_hpp/Eigen/src/Geometry/arch/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Geometry/arch/Geometry_SSE.h
lotus_core/include_hpp/Eigen/src/Householder/BlockHouseholder.h
lotus_core/include_hpp/Eigen/src/Householder/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Householder/Householder.h
lotus_core/include_hpp/Eigen/src/Householder/HouseholderSequence.h
lotus_core/include_hpp/Eigen/src/IterativeLinearSolvers/BasicPreconditioners.h
lotus_core/include_hpp/Eigen/src/IterativeLinearSolvers/BiCGSTAB.h
lotus_core/include_hpp/Eigen/src/IterativeLinearSolvers/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/IterativeLinearSolvers/ConjugateGradient.h
lotus_core/include_hpp/Eigen/src/IterativeLinearSolvers/IncompleteLUT.h
lotus_core/include_hpp/Eigen/src/IterativeLinearSolvers/IterativeSolverBase.h
lotus_core/include_hpp/Eigen/src/Jacobi/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/Jacobi/Jacobi.h
lotus_core/include_hpp/Eigen/src/LU/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/LU/Determinant.h
lotus_core/include_hpp/Eigen/src/LU/FullPivLU.h
lotus_core/include_hpp/Eigen/src/LU/Inverse.h
lotus_core/include_hpp/Eigen/src/LU/PartialPivLU.h
lotus_core/include_hpp/Eigen/src/LU/PartialPivLU_MKL.h
lotus_core/include_hpp/Eigen/src/LU/arch/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/LU/arch/Inverse_SSE.h
lotus_core/include_hpp/Eigen/src/MetisSupport/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/MetisSupport/MetisSupport.h
lotus_core/include_hpp/Eigen/src/OrderingMethods/Amd.h
lotus_core/include_hpp/Eigen/src/OrderingMethods/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/OrderingMethods/Eigen_Colamd.h
lotus_core/include_hpp/Eigen/src/OrderingMethods/Ordering.h
lotus_core/include_hpp/Eigen/src/PaStiXSupport/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/PaStiXSupport/PaStiXSupport.h
lotus_core/include_hpp/Eigen/src/PardisoSupport/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/PardisoSupport/PardisoSupport.h
lotus_core/include_hpp/Eigen/src/QR/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/QR/ColPivHouseholderQR.h
lotus_core/include_hpp/Eigen/src/QR/ColPivHouseholderQR_MKL.h
lotus_core/include_hpp/Eigen/src/QR/FullPivHouseholderQR.h
lotus_core/include_hpp/Eigen/src/QR/HouseholderQR.h
lotus_core/include_hpp/Eigen/src/QR/HouseholderQR_MKL.h
lotus_core/include_hpp/Eigen/src/SPQRSupport/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/SPQRSupport/SuiteSparseQRSupport.h
lotus_core/include_hpp/Eigen/src/SVD/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/SVD/JacobiSVD.h
lotus_core/include_hpp/Eigen/src/SVD/JacobiSVD_MKL.h
lotus_core/include_hpp/Eigen/src/SVD/UpperBidiagonalization.h
lotus_core/include_hpp/Eigen/src/SparseCholesky/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/SparseCholesky/SimplicialCholesky.h
lotus_core/include_hpp/Eigen/src/SparseCholesky/SimplicialCholesky_impl.h
lotus_core/include_hpp/Eigen/src/SparseCore/AmbiVector.h
lotus_core/include_hpp/Eigen/src/SparseCore/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/SparseCore/CompressedStorage.h
lotus_core/include_hpp/Eigen/src/SparseCore/ConservativeSparseSparseProduct.h
lotus_core/include_hpp/Eigen/src/SparseCore/MappedSparseMatrix.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseBlock.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseColEtree.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseCwiseBinaryOp.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseCwiseUnaryOp.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseDenseProduct.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseDiagonalProduct.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseDot.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseFuzzy.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseMatrix.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseMatrixBase.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparsePermutation.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseProduct.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseRedux.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseSelfAdjointView.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseSparseProductWithPruning.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseTranspose.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseTriangularView.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseUtil.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseVector.h
lotus_core/include_hpp/Eigen/src/SparseCore/SparseView.h
lotus_core/include_hpp/Eigen/src/SparseCore/TriangularSolver.h
lotus_core/include_hpp/Eigen/src/SparseLU/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLUImpl.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_Memory.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_Structs.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_SupernodalMatrix.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_Utils.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_column_bmod.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_column_dfs.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_copy_to_ucol.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_gemm_kernel.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_heap_relax_snode.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_kernel_bmod.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_panel_bmod.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_panel_dfs.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_pivotL.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_pruneL.h
lotus_core/include_hpp/Eigen/src/SparseLU/SparseLU_relax_snode.h
lotus_core/include_hpp/Eigen/src/SparseQR/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/SparseQR/SparseQR.h
lotus_core/include_hpp/Eigen/src/StlSupport/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/StlSupport/StdDeque.h
lotus_core/include_hpp/Eigen/src/StlSupport/StdList.h
lotus_core/include_hpp/Eigen/src/StlSupport/StdVector.h
lotus_core/include_hpp/Eigen/src/StlSupport/details.h
lotus_core/include_hpp/Eigen/src/SuperLUSupport/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/SuperLUSupport/SuperLUSupport.h
lotus_core/include_hpp/Eigen/src/UmfPackSupport/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/UmfPackSupport/UmfPackSupport.h
lotus_core/include_hpp/Eigen/src/misc/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/misc/Image.h
lotus_core/include_hpp/Eigen/src/misc/Kernel.h
lotus_core/include_hpp/Eigen/src/misc/Solve.h
lotus_core/include_hpp/Eigen/src/misc/SparseSolve.h
lotus_core/include_hpp/Eigen/src/misc/blas.h
lotus_core/include_hpp/Eigen/src/plugins/ArrayCwiseBinaryOps.h
lotus_core/include_hpp/Eigen/src/plugins/ArrayCwiseUnaryOps.h
lotus_core/include_hpp/Eigen/src/plugins/BlockMethods.h
lotus_core/include_hpp/Eigen/src/plugins/CMakeLists.txt
lotus_core/include_hpp/Eigen/src/plugins/CommonCwiseBinaryOps.h
lotus_core/include_hpp/Eigen/src/plugins/CommonCwiseUnaryOps.h
lotus_core/include_hpp/Eigen/src/plugins/MatrixCwiseBinaryOps.h
lotus_core/include_hpp/Eigen/src/plugins/MatrixCwiseUnaryOps.h
lotus_core/include_hpp/detail/DFT_func_detail.hpp
lotus_core/include_hpp/detail/ECP_detail.hpp
lotus_core/include_hpp/detail/Fock1e_detail.hpp
lotus_core/include_hpp/detail/Fock2e_detail.hpp
lotus_core/include_hpp/detail/Gradient_detail.hpp
lotus_core/include_hpp/detail/Grid_Inte_detail.hpp
lotus_core/include_hpp/detail/Grid_detail.hpp
lotus_core/include_hpp/detail/Matrixs_detail.hpp
lotus_core/include_hpp/detail/SCF_detail.hpp
lotus_core/include_hpp/detail/Util_PBC_detail.hpp
lotus_core/include_hpp/detail/gto_detail.hpp
lotus_core/include_hpp/lotus_core.egg-info/PKG-INFO
lotus_core/include_hpp/lotus_core.egg-info/SOURCES.txt
lotus_core/include_hpp/lotus_core.egg-info/dependency_links.txt
lotus_core/include_hpp/lotus_core.egg-info/top_level.txt
lotus_core/include_py/CVector_py.hpp
lotus_core/include_py/Charge_py.hpp
lotus_core/include_py/DFT_func_py.hpp
lotus_core/include_py/ECP_tmpl_py.hpp
lotus_core/include_py/Fock1e_tmpl_py.hpp
lotus_core/include_py/Fock2e_tmpl_py.hpp
lotus_core/include_py/GInte_Functor_py.hpp
lotus_core/include_py/Gradient_py.hpp
lotus_core/include_py/Grid_Inte_py.hpp
lotus_core/include_py/Grid_py.hpp
lotus_core/include_py/Integ_py.hpp
lotus_core/include_py/Lotus_core_py.hpp
lotus_core/include_py/Matrixs_tmpl_py.hpp
lotus_core/include_py/Mixin_core_py.hpp
lotus_core/include_py/SCF_py.hpp
lotus_core/include_py/Util_MPI_py.hpp
lotus_core/include_py/Util_PBC_py.hpp
lotus_core/include_py/Util_py.hpp
lotus_core/include_py/gto_py.hpp
lotus_core/pint/include_hpp/PInt.hpp
lotus_core/pint/include_hpp/PInt1e.hpp
lotus_core/pint/include_hpp/PInt2e.hpp
lotus_core/pint/include_hpp/Table_Fm_T.hpp
lotus_core/pint/include_hpp/basis_index.h
lotus_core/pint/include_hpp/c_to_xyz.h
lotus_core/pint/include_hpp/detail/PInt1e_detail.hpp
lotus_core/pint/include_hpp/detail/PInt2e_base_detail.hpp
lotus_core/pint/include_hpp/detail/PInt2e_os_dp_detail.hpp
lotus_core/pint/include_hpp/detail/PInt2e_vhrr_dp_detail.hpp
lotus_core/pint/include_hpp/detail/Table_Fm_T_detail.hpp
lotus_core/pint/include_py/PInt1e_py.hpp
lotus_core/pint/include_py/PInt_py.hpp
lotus_core/tests_py/Makefile
lotus_core/tests_py/__init__.py
lotus_core/tests_py/alanine.in
lotus_core/tests_py/alanine_6-31gs.in
lotus_core/tests_py/alanine_6-31gs.mol
lotus_core/tests_py/benzene.in
lotus_core/tests_py/h2o_6-31g.in
lotus_core/tests_py/h2o_6-31gs.in
lotus_core/tests_py/h2o_sbkjc.mol
lotus_core/tests_py/h2o_sbkjc_plus_d.mol
lotus_core/tests_py/h2o_sbkjc_plus_d_for_debug.in
lotus_core/tests_py/hcch.in
lotus_core/tests_py/test1.py
lotus_core/tests_py/test2.py
lotus_core/tests_py/test3.py
lotus_core/tests_py/test4.py
lotus_core/tests_py/test5.py
lotus_core/tests_py/test6.py
lotus_core/tests_py/test7.py
lotus_core/tests_py/test8.py
lotus_core/tests_py/test9.py
lotus_core/tests_py/test_lapack.py
lotus_core/tests_py/test_suite.py
pint/LICENSE
pint/Makefile
pint/include_hpp/PInt.hpp
pint/include_hpp/PInt1e.hpp
pint/include_hpp/PInt2e.hpp
pint/include_hpp/Table_Fm_T.hpp
pint/include_hpp/basis_index.h
pint/include_hpp/c_to_xyz.h
pint/include_hpp/detail/PInt1e_detail.hpp
pint/include_hpp/detail/PInt2e_base_detail.hpp
pint/include_hpp/detail/PInt2e_os_dp_detail.hpp
pint/include_hpp/detail/PInt2e_vhrr_dp_detail.hpp
pint/include_hpp/detail/Table_Fm_T_detail.hpp
pint/include_py/PInt1e_py.hpp
pint/include_py/PInt_py.hpp
pint/src/main_pint.cpp
src/Matrixs_tmpl.cpp
src/main_lotus.cpp
src/main_python4lotus.cpp
src/main_python4lotus_core.cpp
src/module_core.cpp
tests/Makefile
tests/alanine_6-31gs.in
tests/alanine_6-31gs.mol
tests/benzene_6-31gs.in
tests/benzene_6-31gs.mol
tests/h2o_sbkjc.mol
tests/h2o_sbkjc_plus_d.in
tests/h2o_sbkjc_plus_d.mol
tests/h2o_sto-3g.mol
tests/hcch_6-31gs.in
tests/hcch_6-31gs.mol
tests/main_tests_1.cpp
tests/main_tests_2.cpp
tests/main_tests_3.cpp
tests/main_tests_4.cpp
tests/main_tests_5.cpp
tests/main_tests_6.cpp
tests/main_tests_7.cpp
tests/main_tests_8.cpp
tests/main_tests_9.cpp
tests/td_dft.h
tests/td_dft_pbc.h
tests/td_fock1e.h
tests/td_fock2e.h
tests/td_gradient.h
tests/td_lotus.h
tests/td_lotus2.h
tests/td_matrixs.h
tests/td_scf.h
tests_py/Makefile
tests_py/__init__.py
tests_py/alanine.in
tests_py/alanine_6-31gs.in
tests_py/alanine_6-31gs.mol
tests_py/benzene.in
tests_py/h2o_6-31g.in
tests_py/h2o_6-31gs.in
tests_py/h2o_sbkjc.mol
tests_py/h2o_sbkjc_plus_d.mol
tests_py/h2o_sbkjc_plus_d_for_debug.in
tests_py/hcch.in
tests_py/test1.py
tests_py/test2.py
tests_py/test3.py
tests_py/test4.py
tests_py/test5.py
tests_py/test6.py
tests_py/test7.py
tests_py/test8.py
tests_py/test9.py
tests_py/test_lapack.py
tests_py/test_suite.py