pypi.org "phonopy" keyword
unifiedkappa 0.1.2
Diagonal and off-diagonal (coherence) lattice thermal conductivity from phonopy and ShengBTE3 versions - Latest release: 2 days ago - 0 downloads last month - 0 stars on GitHub - 1 maintainer
phonolammps 0.10.1
phonoLAMMPS module26 versions - Latest release: about 1 year ago - 135 downloads last month - 96 stars on GitHub - 1 maintainer
Top 9.8% on pypi.org
39 versions - Latest release: 7 months ago - 3 dependent packages - 1 dependent repositories - 1.04 thousand downloads last month - 143 stars on GitHub - 1 maintainer
dynaphopy 1.19.0
dynaphopy module39 versions - Latest release: 7 months ago - 3 dependent packages - 1 dependent repositories - 1.04 thousand downloads last month - 143 stars on GitHub - 1 maintainer
aiida-phonopy 1.8.0
The official AiiDA plugin for Phonopy19 versions - Latest release: 4 months ago - 1 dependent package - 1 dependent repositories - 444 downloads last month - 24 stars on GitHub - 2 maintainers
agentic-elastemp 0.1.0
A LangGraph + Claude agent for the elastemp temperature-dependent elastic constants workflow1 version - Latest release: 23 days ago - 0 downloads last month - 0 stars on GitHub - 1 maintainer
elastemp 0.2.2
Quasi-harmonic temperature-dependent elastic constants from VASP and phonopy3 versions - Latest release: 23 days ago - 0 downloads last month - 9 stars on GitHub - 1 maintainer
pbandplot 0.1.1
pbandplot: phonon band structure plot from phonopy result.14 versions - Latest release: over 3 years ago - 447 downloads last month - 0 stars on GitHub - 1 maintainer
ramannoodle 0.5.0
Calculate Raman spectra from first-principles calculations.7 versions - Latest release: about 2 years ago - 23 downloads last month - 10 stars on GitHub - 1 maintainer
Related Keywords
phonons
3
vasp
2
elastic constants
2
VASP
2
materials science
2
molecular-dynamics
2
lammps
2
phonon
2
polarizability
1
density-functional-theory
1
graph-neural-networks
1
machine-learning
1
molecular-dynamics-analysis
1
molecular-dynamics-trajectories
1
python
1
raman-cross-section
1
raman-spectra
1
raman-spectroscopy
1
raman-spectrum
1
spectroscopy
1
vasp-calculations
1
vasp-processing
1
vibrational-analysis
1
aiida
1
workflows
1
anharmonicity
1
elastemp
1
agent
1
LangGraph
1
Claude
1
band
1
structure
1
plot
1
lammps-python-interface
1
python-api
1
thermal conductivity
1
wigner transport
1
shengbte
1
quasi-harmonic approximation
1
DFT
1
raman
1
spectrum
1
dft
1
molecular
1
dynamics
1