https://github.com/initqp/somd

Molecular dynamics package designed for the SIESTA DFT code.
https://github.com/initqp/somd

aimd molecular-dynamics neuroevolution-potential siesta

Last synced: 2 months ago
JSON representation

Molecular dynamics package designed for the SIESTA DFT code.

• Host: GitHub
• URL: https://github.com/initqp/somd
• Owner: initqp
• License: agpl-3.0
• Created: 2023-03-09T19:00:41.000Z (almost 2 years ago)
• Default Branch: master
• Last Pushed: 2024-11-04T16:27:39.000Z (3 months ago)
• Last Synced: 2024-11-04T17:31:11.047Z (3 months ago)
• Topics: aimd, molecular-dynamics, neuroevolution-potential, siesta
• Language: Python
• Homepage:
• Size: 3.36 MB
• Stars: 12
• Watchers: 1
• Forks: 2
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

Awesome Lists containing this project

• best-of-atomistic-machine-learning - GitHub