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Published October 27, 2022 | Version 2022.10.27
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molssi-seamm/lammps_step: Added properties

Authors/Creators

  • 1. University of Notre Dame
  • 2. @VirginiaTech @MolSSI
  • 3. @pyupio

Description

  • Added properties to be saved in the database.
  • Updated calls to pymbar because the names of methods were changed.
  • Add the missing references for pymbar

Files

molssi-seamm/lammps_step-2022.10.27.zip

Files (142.8 kB)

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md5:4f00a79f1722e39ae35a5aa880ea738a
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Additional details

Related works

Is supplement to
https://github.com/molssi-seamm/lammps_step/tree/2022.10.27 (URL)