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use correct step when energies present
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hcho38 committed Oct 21, 2024
1 parent f9c8acb commit 3d100bb
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion imdclient/IMDREADER.py
Original file line number Diff line number Diff line change
Expand Up @@ -101,7 +101,7 @@ def _load_imdframe_into_ts(self, imdf):
self.ts.data["dt"] = imdf.dt
self.ts.data["step"] = imdf.step
if imdf.energies is not None:
self.ts.data.update(imdf.energies)
self.ts.data.update({k: v for k, v in imdf.energies.items() if k != "step"})
if imdf.box is not None:
self.ts.dimensions = core.triclinic_box(*imdf.box)
if imdf.positions is not None:
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