Logging correct Helfrich energy #2215
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joaander
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Jan 23, 2026
| h_force.data[idx_a].z += Fa.z; | ||
| h_force.data[idx_a].w += h_params.data[meshbond_type] * 0.5 | ||
| * dot(sigma_dash_a, sigma_dash_a) * inv_sigma_a; | ||
| h_force.data[idx_a].w = h_params.data[meshbond_type] * 0.5 |
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How does changing += to = not introduce new problems? What if idx_a or idx_b participate in multiple mesh bonds? With =, only the energy due to the last bond evaluated will be set.
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This is true. But sigma_dash_a and inv_sigma_a are both precalculated quantities. That means they will be the same across all bonds and I apply the same value each time.
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Description
The Helfrich energy has been assigned to each vertex for each outgoing mesh bond, making it roughly 6 times larger.
Motivation and context
Calculating energy correctly for logging purposes.
How has this been tested?
Running simulations.
Checklist:
sphinx-doc/credits.rst) in the pull request source branch.CHANGELOG.rstfollowing the established format.