| ▼mpqc.Chemistry | Provides functionality related to the domain of chemistry |
| ▼mpqc.Chemistry.Basis | Classes/functions related to basis representations used in chemistry, i.e |
| mpqc.Chemistry.Basis.Gaussian | Classes/functions related to Gaussian AO basis representations |
| ▼mpqc.Chemistry.Basis.Integral | Classes/functions related to integrals over atomic basis function |
| mpqc.Chemistry.Basis.Integral.Range | Provides new range-style compute wrapper to the mpqc.Chemistry.Basis.Integral functionality |
| mpqc.Chemistry.Basis.Integral.TiledArray | Provides interface to get atomic basis integrals into TiledArray tensors |
| ▼mpqc.Chemistry.ElectronicStructure | Classes/functions related to state of electrons in Molecule |
| ▼mpqc.Chemistry.ElectronicStructure.NBody | Classes/functions related to many-body models of electronic structure |
| mpqc.Chemistry.ElectronicStructure.NBody.CI | Configuration Interaction (CI) implementation |
| ▼mpqc.Chemistry.ElectronicStructure.OneBody | Classes/functions related to one-body models of electronic structure |
| mpqc.Chemistry.ElectronicStructure.OneBody.HF | Classes/functions related to Hartree-Fock (HF) one-body models of electronic structure |
| mpqc.Chemistry.ElectronicStructure.OneBody.HF.CADF | Classes/functions related to concentric atomic density fitting (CADF) formulation of Hartree-Fock |
| mpqc.Chemistry.ElectronicStructure.Spin | Functionality related to spin states of electrons |
| mpqc.Chemistry.ElectronicStructure.TAWFN | TiledArray-based wavefunctions |
| mpqc.Chemistry.Molecule | Provides Molecule class and related functionality |
| ▼mpqc.Core | Provides core, domain-independent functionality: core libraries for managing memory, saving and restoring the state of objects, reading objects from an input file, parallel communication, among others |
| mpqc.Core.File | Implementation of hierarchical file objects based on HDF5 |
| mpqc.Core.KeyVal | Classes/functions for managing structured sets of keyword-value associations, such as encoded in the MPQC object-oriented input format |
| mpqc.Core.MPI | MPI wrappers/stubs |
| mpqc.Core.State | Classes/functions used for serialization/deserialization |
| ▼mpqc.Core.Util | Miscellaneous utilities |
| Profile | Profile module is a set of macros to measure time spent in a particular scope on the fly |
| mpqc.Init | Supports initialization of MPQC |
| ▼mpqc.Math | Provides mathematical functionality, e.g |
| mpqc.Math.Array | Distributed/serial array implementation |
| mpqc.Math.BLAS | BLAS bindings |
| mpqc.Math.Matrix | Matrix and Vector classes and function, derived from Eigen |
| mpqc.Math.Range | Range objects for iterating or accessing slices of data |
| mpqc.Math.Tensor | Tensor objects and functions |
| mpqc.Math.TiledArray | Supports the use of TiledArray, a new massively-parallel runtime for dense and block-sparse tensor computing |