ampsci
c++ program for high-precision atomic structure calculations of single-valence systems
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GenerateOperator.hpp
1#pragma once
2#include "IO/InputBlock.hpp"
3#include "TensorOperator.hpp"
4#include "Wavefunction/Wavefunction.hpp"
5#include <memory>
6#include <string>
7#include <vector>
8
9namespace DiracOperator {
10
11//------------------------------------------------------------------------------
12
15std::unique_ptr<DiracOperator::TensorOperator>
16generate(std::string_view operator_name, const IO::InputBlock &input,
17 const Wavefunction &wf);
18
20void list_operators();
21
22} // namespace DiracOperator
Holds list of Options, and a list of other InputBlocks. Can be initialised with a list of options,...
Definition InputBlock.hpp:142
Stores Wavefunction (set of valence orbitals, grid, HF etc.)
Definition Wavefunction.hpp:36
Dirac Operators: General + derived.
Definition GenerateOperator.cpp:12
std::unique_ptr< DiracOperator::TensorOperator > generate(std::string_view operator_name, const IO::InputBlock &input, const Wavefunction &wf)
Returns a unique_ptr (polymorphic) to the requested operator, with given properties.
Definition GenerateOperator.cpp:31
void list_operators()
List available operators.
Definition GenerateOperator.cpp:64