ramannoodle
Calculate Raman spectra from first-principles calculations.
Ecosystem
pypi.org
pypi.org
Latest Release
about 2 years ago
0.5.0
about 2 years ago
Versions
7
7
Downloads
23 last month
23 last month
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Readme
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Links
| Registry | pypi.org |
| Source | Repository |
| Docs | Documentation |
| JSON API | View JSON |
| CodeMeta | codemeta.json |
Package Details
| PURL |
pkg:pypi/ramannoodle
spec |
| License | MIT |
| First Release | over 2 years ago |
| Last Synced | about 1 month ago |
Keywords
raman spectrum vasp dft phonons molecular dynamics polarizability density-functional-theory graph-neural-networks machine-learning molecular-dynamics molecular-dynamics-analysis molecular-dynamics-trajectories phonopy python raman-cross-section raman-spectra raman-spectroscopy raman-spectrum spectroscopy vasp-calculations vasp-processing vibrational-analysis
raman spectrum vasp dft phonons molecular dynamics polarizability density-functional-theory graph-neural-networks machine-learning molecular-dynamics molecular-dynamics-analysis molecular-dynamics-trajectories phonopy python raman-cross-section raman-spectra raman-spectroscopy raman-spectrum spectroscopy vasp-calculations vasp-processing vibrational-analysis
Repository
| Stars | 10 on GitHub |
| Forks | 4 on GitHub |