libmints: Integral library


Classes

class  psi::SphericalTransformComponent
class  psi::SphericalTransform
class  psi::SphericalTransformIter
class  psi::IntegralsIterator
class  psi::ShellCombinationsIterator
class  psi::IntegralFactory
class  psi::SOTransformComponent
class  psi::SOTransformShell
class  psi::SOTransformIter
class  psi::SOTransform
class  psi::SymmOp
class  psi::Vector
class  psi::SimpleVector
class  psi::BasisSet
 Basis set container class. More...
class  psi::DipoleInt
 Computes dipole integrals. More...
class  psi::ERI
 Capable of computing two-electron repulsion integrals. More...
class  psi::MatrixFactory
 A class for creating Matrix, SimpleMatrix, Vector, and SimpleVector objects. More...
class  psi::GaussianShell
 Gaussian orbital shell. More...
class  psi::KineticInt
 Computes kinetic integrals. More...
class  psi::Matrix
 Makes using matrices just a little earlier. More...
class  psi::SimpleMatrix
 Simple matrix class. Not symmetry blocked. More...
class  psi::Molecule
 Molecule information class. More...
class  psi::OneBodyInt
 Basis class for all one-electron integrals. More...
class  psi::ObaraSaikaTwoCenterRecursion
 Generic Obara and Saika recursion object. More...
class  psi::ObaraSaikaTwoCenterMIRecursion
 Obara and Saika recursion object for moment integrals. Currently not used by DipoleInt, hopefully soon. THIS CLASS HAS NOT BEEN TESTED!!! More...
class  psi::ObaraSaikaTwoCenterVIRecursion
 Obara and Saika recursion object for potential integrals. More...
class  psi::ObaraSaikaTwoCenterVIDerivRecursion
 Obara and Saika recursion object for computing potential derivatives. More...
class  psi::OverlapInt
 This class computes overlap integrals and soon overlap integral derivatives. Use an IntegralFactory to create this object. More...
class  psi::PotentialInt
 Computes potential integrals. Use an IntegralFactory to create this object. More...
class  psi::QuadrupoleInt
 Computes quadrupole integrals. At last check this may not be working. Use an IntegralFactory to create this object. More...
class  psi::TwoBodyInt
 Two body integral base class. More...
class  psi::Wavefunction
 Simple wavefunction base class. More...

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