Name | green-ac JSON |
Version |
0.2.5
JSON |
| download |
home_page | None |
Summary | Analytical continuation suits for Green Software Package |
upload_time | 2024-10-31 19:00:44 |
maintainer | None |
docs_url | None |
author | None |
requires_python | >=3.8 |
license | None |
keywords |
|
VCS |
 |
bugtrack_url |
|
requirements |
No requirements were recorded.
|
Travis-CI |
No Travis.
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coveralls test coverage |
No coveralls.
|
[](./LICENSE)
[](https://en.cppreference.com/w/cpp/compiler_support/17)

[](https://codecov.io/github/Green-Phys/green-ac)
```
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```
***
`Green/Continuation` is an Analytical continuation toolkit for Green Software Package
# Installation
`Green/Continuation` comes in two forms
- C++ application
- Python package
## Dependencies
`Green/Continuation` has the following required external dependencies
- HDF5 library version >= 1.10.2
- Message Passing Interface >= 3.1 (for C++ application)
- Eigen3 library >= 3.4.0
- GNU Multiprecision library
- pybind11 (optional to build python wrapper)
To build `Green/Continuation` CMake version 3.18 or above is required
## Build and Install C++ application
The following example will build, test and install `Green/Continuation` to `/path/to/weakcoupling/install/dir` directory.
```ShellSession
$ git clone https://github.com/Green-Phys/green-ac
$ cd green-ac
$ mkdir build && cd build
$ cmake -DCMAKE_BUILD_TYPE=Release \
-DCMAKE_INSTALL_PREFIX=/path/to/install/dir ..
$ make
$ make test
$ make install
```
## Installation of Python package
We provide pre-built binaries for major Linux distributions and recent MacOS version via `pip`.
For installation using `pip `simply type `pip install green-ac`.
If pre-built binaries can not be used, package will be built from sources.
## Usage
### C++ application
After the `Green/Continuation` is built and installed, spectral function could be obtained by calling
```ShellSession
<install dir>/bin/ac.exe --BETA <Inverse temperature> --grid_file <grid file> \
--input_file <input file> --output_file <output file> --group <HDF5 group with data> \
--e_min -5.0 --e_max 5.0 --n_omega 4000 --eta 0.01 \
--kind Nevanlinna
```
- `BETA` -- the inverse temperature that was used to obtain results
- `grid_file` -- name of the grid file that was used to obtain results
- `input_file` -- name of the file that contains imaginary time data
- `output_file` -- name of the file to store results of the continuation
- `group` -- name of the group that contains `data` and `mesh` datasets with imaginary time data and grid
- `e_min` -- lowest frequency on the real axis
- `e_max` -- largest frequency on the real axis
- `n_omega` -- number of frequency points on the real axis
- `eta` -- broadening parameter
- `kind` -- type of continuation to be used (current version only supports `Nevanlinna`)
After the completetion, results will be stored in `group` HDF5 group in the `output_file` file.
### Python
In addition to C++ application, `Green/Continuation` provides a convinient Python package that can work directly with
`numpy` arrays. It supports two types of parallelism, using `ProcessPoolExecutor` from `concurrent.futures` and
MPI parallelization using `mpi4py` library.
To use `Green/Continuation` simply import it in your script as
```Python
import green_ac
```
and call `solve` function with the following parameters:
- Type of the continuation (currently we only provide `Nevanlinna`)
- Matsubara frequency grid
- Real frequency grid
- Data in Matsubara frequency domain
- Precision
Here is an example how to obtain real frequency Green's function for a simple two-pole non-interacting Green's function with precision at least 512 bits:
```Python
imgrid = (2*np.linspace(-50,49,100) + 1) * 1.j *np.pi/ 2
grid = np.linspace(-2,2,1001) + 0.01j
data = 0.5*(1/(imgrid + 0.5) + 1/(imgrid - 0.5))
data_out = green_ac.solve("Nevanlinna", imgrid, grid, data, 512)
```
Here we have `100` positive and negative Matsubara frequencies, define real frequency grid to have `1000` points and to be from `-2` to `2` with broadening parameter `0.01`,
We define Green's function on Matsubara grid with poles at `-0.5` and `0.5`. Real frequency data will be stored in `data_out` array.
# Acknowledgements
This work is supported by National Science Foundation under the award OCA-2310582
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"description": "[](./LICENSE)\n[](https://en.cppreference.com/w/cpp/compiler_support/17)\n\n\n[](https://codecov.io/github/Green-Phys/green-ac)\n\n\n```\n \u2588\u2580\u2580\u2588 \u2588\u2580\u2580\u2588 \u2588\u2580\u2580 \u2588\u2580\u2580 \u2588\u2580\u2580\u2584\n \u2588 \u2584\u2584 \u2588\u2584\u2584\u2580 \u2588\u2580\u2580 \u2588\u2580\u2580 \u2588 \u2588\n \u2588\u2584\u2584\u2588 \u2580 \u2580\u2580 \u2580\u2580\u2580 \u2580\u2580\u2580 \u2580 \u2580\n\n \u2588\u2580\u2580\u2588 \u2588\u2580\u2580\u2588 \u2588\u2580\u2580\u2584 \u2580\u2580\u2588\u2580\u2580 \u2580 \u2588\u2580\u2580\u2584 \u2588 \u2588 \u2588\u2580\u2580\u2588 \u2580\u2580\u2588\u2580\u2580 \u2580 \u2588\u2580\u2580\u2588 \u2588\u2580\u2580\u2584\n \u2588 \u2588 \u2588 \u2588 \u2588 \u2588 \u2580\u2588\u2580 \u2588 \u2588 \u2588 \u2588 \u2588\u2584\u2584\u2588 \u2588 \u2580\u2588\u2580 \u2588 \u2588 \u2588 \u2588\n \u2588\u2584\u2584\u2588 \u2580\u2580\u2580\u2580 \u2580 \u2580 \u2580 \u2580\u2580\u2580 \u2580 \u2580 \u2580\u2580\u2580 \u2580 \u2580 \u2580 \u2580\u2580\u2580 \u2580\u2580\u2580\u2580 \u2580 \u2580\n```\n***\n\n`Green/Continuation` is an Analytical continuation toolkit for Green Software Package\n\n# Installation\n\n`Green/Continuation` comes in two forms\n\n - C++ application\n - Python package\n\n## Dependencies\n\n`Green/Continuation` has the following required external dependencies\n - HDF5 library version >= 1.10.2\n - Message Passing Interface >= 3.1 (for C++ application)\n - Eigen3 library >= 3.4.0\n - GNU Multiprecision library\n - pybind11 (optional to build python wrapper)\n\nTo build `Green/Continuation` CMake version 3.18 or above is required\n\n## Build and Install C++ application\n\nThe following example will build, test and install `Green/Continuation` to `/path/to/weakcoupling/install/dir` directory.\n\n```ShellSession\n$ git clone https://github.com/Green-Phys/green-ac\n$ cd green-ac\n$ mkdir build && cd build\n$ cmake -DCMAKE_BUILD_TYPE=Release \\\n -DCMAKE_INSTALL_PREFIX=/path/to/install/dir ..\n$ make\n$ make test\n$ make install\n```\n\n## Installation of Python package\n\nWe provide pre-built binaries for major Linux distributions and recent MacOS version via `pip`.\nFor installation using `pip `simply type `pip install green-ac`.\nIf pre-built binaries can not be used, package will be built from sources.\n\n## Usage\n\n### C++ application\n\nAfter the `Green/Continuation` is built and installed, spectral function could be obtained by calling\n\n```ShellSession\n<install dir>/bin/ac.exe --BETA <Inverse temperature> --grid_file <grid file> \\\n --input_file <input file> --output_file <output file> --group <HDF5 group with data> \\\n --e_min -5.0 --e_max 5.0 --n_omega 4000 --eta 0.01 \\\n --kind Nevanlinna\n```\n\n - `BETA` -- the inverse temperature that was used to obtain results\n - `grid_file` -- name of the grid file that was used to obtain results\n - `input_file` -- name of the file that contains imaginary time data\n - `output_file` -- name of the file to store results of the continuation\n - `group` -- name of the group that contains `data` and `mesh` datasets with imaginary time data and grid\n - `e_min` -- lowest frequency on the real axis\n - `e_max` -- largest frequency on the real axis\n - `n_omega` -- number of frequency points on the real axis\n - `eta` -- broadening parameter\n - `kind` -- type of continuation to be used (current version only supports `Nevanlinna`)\n\nAfter the completetion, results will be stored in `group` HDF5 group in the `output_file` file.\n\n\n### Python\n\nIn addition to C++ application, `Green/Continuation` provides a convinient Python package that can work directly with\n`numpy` arrays. 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Real frequency data will be stored in `data_out` array.\n\n\n# Acknowledgements\n\nThis work is supported by National Science Foundation under the award OCA-2310582\n",
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