📦 mpqc-devel

S (continued)

• sc_TwoBodyMOIntsTransform(3)TwoBodyMOIntsTransform computes two-body integrals in MO basis using parallel integrals-direct AO->MO transformation.✨
• sc_TwoBodyMOIntsTransform_123Inds(3)✨
• sc_TwoBodyMOIntsTransform_12Inds(3)✨
• sc_TwoBodyMOIntsTransform_13Inds(3)✨
• sc_TwoBodyMOIntsTransform_ijxy(3)TwoBodyMOIntsTransform_ijxy computes (ij|xy) integrals using parallel integrals-direct AO->MO transformation.✨
• sc_TwoBodyMOIntsTransform_ikjy(3)TwoBodyMOIntsTransform_ikjy computes (ik|jy) integrals using parallel integrals-direct AO->MO transformation.✨
• sc_TwoBodyMOIntsTransform_ixjy(3)TwoBodyMOIntsTransform_ixjy computes (ix|jy) integrals using parallel integrals-direct AO->MO transformation.✨
• sc_TwoBodyMOIntsTransform_MOSpaces(3)Predefined enumerated type for the MO spaces.✨
• sc_TwoBodySOInt(3)✨
• sc_TwoBodyThreeCenterDerivInt(3)This is an abstract base type for classes that compute three centers integrals involving two electrons.✨
• sc_TwoBodyThreeCenterInt(3)This is an abstract base type for classes that compute integrals involving two electrons in three Gaussian functions.✨
• sc_TwoBodyThreeCenterIntV3(3)This implements electron repulsion integrals involving three centers in the IntV3 library.✨
• sc_TwoBodyTwoCenterDerivInt(3)This is an abstract base type for classes that compute two centers integrals involving two electrons.✨
• sc_TwoBodyTwoCenterInt(3)This is an abstract base type for classes that compute integrals involving two electrons in two Gaussian functions.✨
• sc_TwoBodyTwoCenterIntV3(3)This implements electron repulsion integrals involving two centers in the IntV3 library.✨
• sc_type_info_key(3)✨
• sc_UHF(3)This provides an unrestricted Hartree-Fock implementation.✨
• sc_UKS(3)This provides a Kohn-Sham implementation for unrestricted- orbital open-shell systems.✨
• sc_Uncapped5SphereExclusionShape(3)✨
• sc_UncappedTorusHoleShape(3)✨
• sc_UnionShape(3)A UnionShape is volume enclosed by a set of Shape's.✨
• sc_Units(3)The Units class is used to perform unit converions.✨
• sc_UnrestrictedSCF(3)A base class for unrestricted self-consistent- field methods.✨
• sc_UsedData(3)✨
• sc_VDWShape(3)The VDWShape class describes the surface of a molecule as the union of atom centered spheres, each the van der Waals radius of the atom.✨
• sc_vec2(3)✨
• sc_vec3(3)✨
• sc_vec4(3)✨
• sc_Vertex(3)✨
• sc_vertex(3)✨
• sc_vertices(3)✨
• sc_Volume(3)A Volume is a Function of three variables.✨
• sc_VWN1LCFunctional(3)The VWN1LCFunctional computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair).✨
• sc_VWN2LCFunctional(3)The VWN2LCFunctional computes energies and densities using the VWN2 local correlation term (from Vosko, Wilk, and Nusair).✨
• sc_VWN3LCFunctional(3)The VWN3LCFunctional computes energies and densities using the VWN3 local correlation term (from Vosko, Wilk, and Nusair).✨
• sc_VWN4LCFunctional(3)The VWN4LCFunctional computes energies and densities using the VWN4 local correlation term (from Vosko, Wilk, and Nusair).✨
• sc_VWN5LCFunctional(3)The VWN5LCFunctional computes energies and densities using the VWN5 local correlation term (from Vosko, Wilk, and Nusair).✨
• sc_VWNLCFunctional(3)An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional (1, 2, 3, 4, 5) classes are derived.✨
• sc_Wavefunction(3)A Wavefunction is a MolecularEnergy that utilizies a GaussianBasisSet.✨
• sc_X(3)✨
• sc_XalphaFunctional(3)Implements the Xalpha exchange functional.✨
• sc_Y(3)✨
• sc_YYSTYPE(3)✨