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materialsproject/mpmorph
call_packmol() does not generate mixture.xyz file

Hi, I ve been trying to use this package to generate an amorphous structure. Right now, I m just trying the example code in the readme file. I keep getting an error at the same point: when I call structure ...
  • adelaiden
  • 2
  • Opened 
    on Oct 15, 2020
  • #13

materialsproject/mpmorph
workflow script

change from mpmorph.workflow.converge... to from mpmorph.workflows.converge... please in your example workflow script
  • zccaayo
  • Opened 
    on Mar 28, 2020
  • #12

materialsproject/mpmorph
Need to get rid of final firework for trajectory aggregation.

Each firework should find its parent and just append to the trajectory task in the database.
  • sivonxay
  • Opened 
    on Sep 10, 2019
  • #5

materialsproject/mpmorph
How to use mpmorph?

Could you tell us mpmorph? TKS!
  • wqtangecust
  • 1
  • Opened 
    on Dec 19, 2018
  • #2
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