pypi.org "force constants" keyword
calorine 4.1
A Python library for building and sampling NEP models via the GPUMD package22 versions - Latest release: 14 days ago - 1 dependent package - 2.37 thousand downloads last month - 13 stars on gitlab.com - 2 maintainers
Top 8.7% on pypi.org
43 versions - Latest release: 17 days ago - 1 dependent package - 5 dependent repositories - 2.19 thousand downloads last month - 42 stars on GitHub - 3 maintainers
euphonic 2.1.1
Euphonic calculates phonon bandstructures and inelastic neutron scattering intensities from model...43 versions - Latest release: 17 days ago - 1 dependent package - 5 dependent repositories - 2.19 thousand downloads last month - 42 stars on GitHub - 3 maintainers
Top 3.5% on pypi.org
15 versions - Latest release: over 1 year ago - 3 dependent packages - 13 dependent repositories - 58.4 thousand downloads last month - 31 stars on gitlab.com - 2 maintainers
hiphive 1.5
High-order force constants for the masses15 versions - Latest release: over 1 year ago - 3 dependent packages - 13 dependent repositories - 58.4 thousand downloads last month - 31 stars on gitlab.com - 2 maintainers
Related Keywords
physics
3
phonons
3
thermal transport
2
thermal conductivity
2
python
2
molecular dynamics
2
condensed matter physics
2
atomic scale simulation
2
scientific
2
chemistry
2
hiphive
1
machine learning potentials
1
gpumd
1
neural network potentials
1
Python
1
inelastic neutron scattering
1
CASTEP
1
Phonopy
1
Atomistic simulations
1
anharmonicity
1
statistical learning
1