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Fix a couple of lammps backend bugs #277

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merged 1 commit into from
Aug 14, 2023
Merged

Fix a couple of lammps backend bugs #277

merged 1 commit into from
Aug 14, 2023

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pabloferz
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trunk-io bot commented Aug 13, 2023

😎 Merged successfully (details).

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thanks @pabloferz How did you get the bug with the masses, that needs to be reshape here?

@trunk-io trunk-io bot merged commit b654a7d into main Aug 14, 2023
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pabloferz commented Aug 14, 2023

thanks @pabloferz How did you get the bug with the masses, that needs to be reshape here?

I tried running an ABF simulation, which requires the momenta (this was not the case with the unbiased simulations), but we need the same dimensionality on both the velocities and masses so each particle velocity is multiplied by the corresponding mass.

@pabloferz pabloferz deleted the pz/lammps branch August 14, 2023 16:02
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2 participants