https://gitlab.com/materials-modeling/calorine
[A python tool box for GPUMD simulations](https://calorine.materialsmodeling.org/)
https://gitlab.com/materials-modeling/calorine
atomic scale simulation condensed matter physics force constants gpumd hiphive machine learning potentials molecular dynamics neural network potentials phonons physics python thermal conductivity thermal transport
Last synced: 4 months ago
JSON representation
[A python tool box for GPUMD simulations](https://calorine.materialsmodeling.org/)
- Host: gitlab.com
- URL: https://gitlab.com/materials-modeling/calorine
- Owner: materials-modeling
- License: mpl-2.0
- Created: 2021-04-23T16:12:56.047Z (over 4 years ago)
- Default Branch: master
- Last Synced: 2025-08-20T12:53:17.272Z (4 months ago)
- Topics: atomic scale simulation, condensed matter physics, force constants, gpumd, hiphive, machine learning potentials, molecular dynamics, neural network potentials, phonons, physics, python, thermal conductivity, thermal transport
- Stars: 14
- Forks: 4
- Open Issues: 8
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