search

Becksteinlab / imdclient

Streaming analysis from running MD simulations.
https://imdclient.readthedocs.io/
Other
5 stars 0 forks source link

Copy IMDFrame data into IMDReader's Timestep directly rather than assigning reference #2

Closed ljwoods2 closed 3 months ago

ljwoods2 commented 3 months ago

In IMDReader's _load_imdframe_into_ts, there is a bug where the IMDFrame's xvf arrays are assigned to the timestep rather than copied into the TImestep's arrays.

ljwoods2 commented 3 months ago

Closing since assignment is more efficient than copying in this case

ljwoods2 commented 2 months ago

IMDClient reduce memory copies