https://github.com/tonigi/plumed2-automatic-gradients
How to differentiate collective variables in free energy codes: Computer-algebra code generation and automatic differentiation
https://github.com/tonigi/plumed2-automatic-gradients
automatic-differentiation gradient plumed2 stan-math-library sympy
Last synced: 7 months ago
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How to differentiate collective variables in free energy codes: Computer-algebra code generation and automatic differentiation
- Host: GitHub
- URL: https://github.com/tonigi/plumed2-automatic-gradients
- Owner: tonigi
- License: lgpl-3.0
- Created: 2017-09-02T18:17:22.000Z (almost 9 years ago)
- Default Branch: automatic-gradient-computation
- Last Pushed: 2019-07-15T09:33:30.000Z (about 7 years ago)
- Last Synced: 2023-08-09T22:59:39.801Z (almost 3 years ago)
- Topics: automatic-differentiation, gradient, plumed2, stan-math-library, sympy
- Language: C++
- Homepage: https://arxiv.org/abs/1709.06780
- Size: 89.1 MB
- Stars: 4
- Watchers: 2
- Forks: 1
- Open Issues: 0