pypi.org "anharmonicity" keyword
pyanca 0.1.13
Anharmonic Conformational Analysis4 versions - Latest release: over 8 years ago - 1 dependent repositories - 25 downloads last month - 0 stars on GitHub - 1 maintainer
panthera 0.5.2
Package for calculating thermochemistry with anharmonic corrections1 version - Latest release: about 5 years ago - 1 dependent repositories - 31 downloads last month - 6 stars on GitHub - 1 maintainer
phonon-gas-model 1.0.0a0
Free energy calculation using phonon gas model1 version - Latest release: about 3 years ago - 8 downloads last month - 17 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
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
python
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chemistry
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physics
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phonopy
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vasp
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scientific
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Atomistic simulations
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atomic scale simulation
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condensed matter physics
1
force constants
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molecular dynamics
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phonons
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statistical learning
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thermal conductivity
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thermal transport
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ab-initio
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scientific-computing
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solid-state-physics
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phonon
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molecular-dynamics
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lammps
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bioinformatics
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higher order statistics
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molecular dynamics simulations
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molecular biophysics
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solid-state-chemistry
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molecules
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entropy
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enthalpy
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thermochemistry
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anharmonic
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vibrations
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