Fix segmentation faults when reading in trajectories without forces/velocities after reading in trajectories with forces/velocities - #1188

Merged

drroe merged 37 commits into

Amber-MD:masterfrom

Jul 16, 2026

Commits on Jul 7, 2026

Add tanh
Daniel R. Roe
committed

Commits on Jul 9, 2026

Add hyperbolic sin/cos
Daniel R. Roe
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Add a test that segfaults
Daniel R. Roe
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Put into separate functions
Daniel R. Roe
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Add test for changing velocity information
Daniel R. Roe
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Check if the current coordinate info (specifically velocity/force info) differs from the coordinate info output trajectories were set up with. If set up for velocities/forces and no velocity/force …
Daniel R. Roe
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Move to Test_VelFrc
Daniel R. Roe
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Revert general tests
Daniel R. Roe
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Add test with forces
Daniel R. Roe
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Use OutputTrajCommon instead of trajio
Daniel R. Roe
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Add ensemble test
Daniel R. Roe
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No need for separate CoordInfo function, already stored in OutputTrajCommon
Daniel R. Roe
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Add function to check ensembles as well
Daniel R. Roe
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If initial traj had vel/frc info but this one does not, make sure the velocity/force info is zeroed out.
Daniel R. Roe
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Commits on Jul 10, 2026

Add test trajectory files
Daniel R. Roe
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Protect tests in parallel
drroe
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Need to modify FrameArray, not FramePtrArray
drroe
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Enable the ensemble test
drroe
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Commits on Jul 13, 2026

Commits on Jul 14, 2026

Commits on Jul 15, 2026

Commits on Jul 16, 2026

Need to use NcTest to compare NetCDF files, not DoTest...
Daniel R. Roe
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More protections in parallel
Daniel R. Roe
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In serial N_THREADS is not set
Daniel R. Roe
committed