include DataConatiner check #514
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Pull Request Test Coverage Report for Build 1768084316
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pmrv
approved these changes
Feb 1, 2022
pmrv
reviewed
Feb 3, 2022
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177
| content = ( | ||
| "main { ricQN { ric { maxDist = %f; withAngles; } maxSteps = %i; dEnergy = %f; dF = %f; maxStepLength = %f; softModeDamping = %f;}}" | ||
| % ( | ||
| maxDist, | ||
| ionic_steps, | ||
| ionic_energy_tolerance, | ||
| ionic_force_tolerance, | ||
| max_step_length, | ||
| soft_mode_damping, | ||
| ) | ||
| ) |
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I know it's not part of the change set, but this should really be constructed programmatically
content = Group({'main': {'ricQN': {'ric': {...}, 'maxSteps': ionic_steps, ...}})
Co-authored-by: Marvin Poul <poul@mpie.de>
This was referenced Feb 9, 2022
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