Tags: pomerol-ed/pomerol
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Release 2.2 - New class `FieldOperator`. This class is an intermediate layer in the inheritance hierarchy between `MonomialOperator` and `CreationOperator`/`AnnihilationOperator`. - `GreensFunction` has been extended to compute anomalous GFs. This can be achieved by passing two `AnnihilationOperator` objects to the constructor. A unit test for this new functionality has been added. - `GFContainer` can now store anomalous Green's functions (an extra boolean argument has been added to its constructor to control this new feature). - Added a new family of functions `LatticePresets::Pairing()` that return expressions for superconducting pairing terms. - New class `QuarticOperator`. In full analogy with `QuadraticOperator`, it is meant to be primarily used with `EnsembleAverage` to compute e.g. average double occupancy. - It is now possible to pass a tolerance level for the retained matrix elements to `MonomialOperator::compute()`, `MonomialOperatorPart::compute()` and `FieldOperatorContainer::computeAll()`. - Lehmann representation: Reorganized handling of various adjustable tolerance levels in `GreensFunction`, `Susceptibility`, `ThreePointSusceptibility`, `TwoParticleGF` and related classes. All tolerance levels are now exposed to the user. - Speed up construction of Lehmann representations by switching from `std::set` to the faster `std::unordered_set` in `TermList`. - The tutorial has been extended to demonstrate the use of the new features.
Release 2.1
- New classes to compute the 3-point fermion-boson susceptibilities,
`ThreePointSusceptibility`, `ThreePointSusceptibilityPart` and
`ThreePointSusceptibilityContainer`.
- `QuadraticOperator` can now be a product of two creators or two annihilators.
- Renamed type aliases `FreqTuple` -> `FreqTuple3` and `FreqVec` -> `FreqVec3`.
The old names are still usable but marked as deprecated.
- Bumped required CMake version to 3.11.0.
- Bumped required libcommute version to 0.7.2.
- Use CMake's module `FetchContent` to fetch libcommute if it is not found
locally.
- Install CMake configuration files into
`${CMAKE_INSTALL_PREFIX}/lib/cmake/pomerol`, which is the recommended
location.
- New GitHub Actions workflow that builds and installs pomerol on macOS 11.
Major release 2.0 Main changes in Pomerol 2.0 =========================== - The Mozilla Public License Version 2.0 has been adopted. - Pomerol 2.0 requires a C++11 compatible compiler to build. - Dependence on Boost.MPI and Boost.Serialization has been dropped. Pomerol 2.0 still depends on a few header-only Boost libraries and an MPI-3.0 implementation that provides a working `<mpi.h>`. - Changed extension of all header files from `.h` to `.hpp`. - The input layer and diagonalization routines have been rewritten to benefit from facilities provided by [libcommute](https://github.com/krivenko/libcommute). Hamiltonians to be solved are now specified as libcommute's expressions with arbitrary static types of indices carried by creation/annihilation operators. - Thanks to the use of libcommute's expressions, it is now possible to solve models, whose Hamiltonians involve bosonic degrees of freedom. - The `Lattice` class has been retired. The `LatticePresets` class has been turned into a namespace with preset functions returning their respective expressions of Hamiltonian terms. For the sake of backward compatibility, operators in the expressions returned by these functions carry the traditional (site label, orbital index, spin projection) index triplets. - The `spin` enumeration type is now declared in the `LatticePresets` namespace. The enumeration has also been extended with an extra `undef` value, which is meant to be used on bosonic creation/annihilation operators. - The `POMEROL_COMPLEX_MATRIX_ELEMENTS` CMake option has been removed. A proper matrix storage format is selected at runtime depending on the types of input expressions for Hamiltonians and operators of physical observables. - API of class `IndexClassification` has been made more generic (it is now templated on the operator index types to accommodate the flexibility of libcommute's expressions). - Class `IndexHamiltonian` has been removed. - Functionality of the `Symmetrizer` and `StatesClassification` classes has been redistributed between `StatesClassification` and a new class `HilbertSpace`. The notion of quantum numbers has been abandoned since partition of a Hilbert space into sectors is now performed by libcommute's `space_partition` algorithm. - Class `FieldOperator` has been generalized and renamed into `MonomialOperator`. It can now compute and store matrices of arbitrary monomial operators, i.e. operators that are products of creation/annihilation operators, possibly with a real or complex prefactor. - It is now possible to use `EnsembleAverage` and `Susceptibility` to compute averages/dynamical fluctuations of monomial operators instead of just quadratic operators. - Renamed `EnsembleAverage::getResult()` to `EnsembleAverage::operator()()`. - The outdated `ENABLE_SAVE_PLAINTEXT` macro has been removed. - The `pomerol/first_include.h.in` header has been renamed into `pomerol/Version.hpp.in`. - API reference documentation and the tutorial have been updated and cleaned up. - Unit tests have been ported from Google Test to Catch2. The header file of Catch2 is bundled to the source code.
Release 1.3 Last release adhering to C++98 standard. This release: - Fix in symmetry detection - Speedup of operator matrix element computation (H. Shinaoka) - Truncate blocks having negligible density matrix (J. Otsuki) - Fix OpenMP flags (H. Strand) - Fixes (N. Wenzell, H. Shinaoka) - Update README
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