Broadening and weighting for simulated spectra
Reason this release was yanked:
galore-plot-cs is broken
Project description
Apply Gaussian and Lorentzian broadening to data from ab initio calculations. The two main intended applications are
Broadening of electronic density-of-states to simulate photoemission spectroscopy (PES) data. Orbital contributions may also be weighted to account for the frequency-dependent photoionisation cross-section.
Application of Lorentzian instrumental broadening to simulated Raman spectra from DFPT calculations.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
galore-0.9.1.tar.gz
(598.2 kB
view details)
Built Distribution
galore-0.9.1-py2.py3-none-any.whl
(109.7 kB
view details)
File details
Details for the file galore-0.9.1.tar.gz.
File metadata
- Download URL: galore-0.9.1.tar.gz
- Upload date:
- Size: 598.2 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/5.1.1 CPython/3.10.15
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 73c197bcb4c42fd82441ee6a18bb3ad78e2698b26f6356cc962f1c8128d4a15b |
|
| MD5 | 61bc62a1d4bc61960ccd2b3a74619a19 |
|
| BLAKE2b-256 | d6dd71de7a92df058e32fcbb30c83b0bd7634132668c3da62b88909f67e520cf |
File details
Details for the file galore-0.9.1-py2.py3-none-any.whl.
File metadata
- Download URL: galore-0.9.1-py2.py3-none-any.whl
- Upload date:
- Size: 109.7 kB
- Tags: Python 2, Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/5.1.1 CPython/3.10.15
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 689cfcff5e608da26e2f4af0aaefaff828ae48571ed0a052ca6df1523cf9534d |
|
| MD5 | 608837389de2fc2538a5f26b43383da1 |
|
| BLAKE2b-256 | 682b0e26feb2c5052459e7ec929542731c8045c19c811d33f6a9825e81bd6706 |
