This page contains a reference of the adccore C++ library and its classes and functions generated automatically from the adccore source code. The functions and classes discussed here are exposed to Python as the libadcc python module.
This category lists the adccore functionality, which imports the data from the :cppadcc::HartreeFockSolution_i interface into the :cppadcc::ReferenceState for internal use by the library. See hostprograms for details how to connect host programs to adcc. Important classes in the process are :cppadcc::MoSpaces, which collects information about the occupied and virtual orbital spaces, and :cppadcc::MoIndexTranslation, which maps orbitals indices between the ordering used by adccore and the one used by the SCF program.
ReferenceObjects
:cppadcc::LazyMp lazily computes second-order and third-order Møller-Plesset perturbation theory on top of the reference held by a :cppadcc::ReferenceState.
PerturbationTheory
:cppadcc::AdcMatrix sets up a representation of the ADC matrix for a particular method. My the means of matrix cores, which actually do the work, this allows to perform matrix-vector products or access the diagonal of such a matrix under a common interface.
AdcMatrix
AdcGuess
Properties
The generalised :cppadcc::Tensor interface used by adcc and adccore to perform tensor operations.
Tensor
Utilities
These classes and functions provide access to metadate about adccore.
Metadata
This section describes the implementation of the Tensor functionality of :cppadcc::Tensor using the libtensor tensor library.
TensorLibtensor