Fix allocation-based unit tests #336
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Nhertl
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Apr 8, 2024
Nhertl
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Apr 8, 2024
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Does this test work when somebody applies an older version than Julia v1.8? I mean, we could state that NQCD requires Julia v1.8 minimum to remedy this. I just wanted to point out, that the if case here does not account for older versions than Julia v1.8 and consequently might break.
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Good point, I've made it catch-all now. Minimum Julia version enforced at the moment is 1.7. |
Alexsp32
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Alexsp32
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* Stopgap fix for failing unit tests based on memory allocation * Add allocation test debug messages * Fixed version logic to be defined for all Julia versions
reinimaurer1
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…332) * Add Simulation-aware VelocityBoltzmann with support for frozen atoms. * Forgot to add new file * Basic docs * Forgot second arg in mobileatoms call * Add OutputInitial DynamicsOutput (#337) * Add OutputInitial DynamicsOutput * Fix allocation-based unit tests (#336) * Stopgap fix for failing unit tests based on memory allocation * Add allocation test debug messages * Fixed version logic to be defined for all Julia versions * Analysis functions for diatomic molecules. (#329) - Added new DynamicsOutput: OutputDesorptionTrajectory #317 - Added new DynamicsOutput: OutputDesorptionAngle #317 - Created an `Analysis` submodule for common analysis functions - Add `Structure` submodule for common utility functions for atomic structure. * Add rudimentary tests for NQCDynamics.Structure * Improved method definitions, possible efficiency gain by using views * Add unit tests for diatomic analysis functions for desorption * Add "Analysis" group to unit testing * Added explanation for Structure module scope * Add unit tests and fix a mistake * Wrong path for test asset * Add DynamicalDistribution constructor from Simulation, add test for correct atom freezing. --------- Co-authored-by: Reinhard Maurer <r.maurer@warwick.ac.uk>
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I'm not particularly proud of this "temporary" fix to the failing tests for
LargeDiabaticCalculatorandRingPolymerLargeDiabaticCalculator, but here we are. Until we decide on a better unit test to replace these ones, we can whitelist different values for different Julia versions.