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Adding binary observer afterwards
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3
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19
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October 6, 2025
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Questions about principle of cluster expansion and fitting of CE in icet
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2
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34
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September 2, 2025
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Questions of MC analysis
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23
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104
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August 13, 2025
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Structure Container Error
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1
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23
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July 28, 2025
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Concentration values in the database
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5
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41
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June 11, 2025
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Warning: Condition number is large
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4
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40
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May 30, 2025
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Implementing Kernel Ridge Models For MC Simulations
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2
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24
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April 16, 2025
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Questions after reading ICET tutorial of 2024
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5
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56
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March 10, 2025
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Question About Cluster Expansion and Delithiated Structures
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1
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29
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February 28, 2025
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Mixing Energy Calculation
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4
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47
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February 27, 2025
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Some problems regarding isothermal-isobaric ensembles
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1
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15
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February 19, 2025
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Same element in multiple sublattices
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7
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34
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January 24, 2025
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Some problems confused me when I learn ICET
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10
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302
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December 2, 2024
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Questions about convex hull constructions with ternary compounds
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1
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42
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November 23, 2024
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Questions about using CE in multicomponent ionic materials
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3
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48
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November 14, 2024
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Use extensive or intensive/normalized properties?
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3
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273
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September 13, 2024
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Dealing with large unit cell
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2
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41
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September 10, 2024
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Condition Number is large but cutoff is minimal
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4
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53
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August 30, 2024
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Can't get auto completion working
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0
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64
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June 28, 2024
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Can ICET get temperature-dependent ECI in Monte Carlo simulations?
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1
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173
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June 4, 2024
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Tips/Tricks for including Transition States in ICET?
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1
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268
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February 22, 2024
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Saving an EnsembleOptimizer and using it for uncertainty prediction with new structures
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3
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227
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December 14, 2023
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How do I relax a set of structures that are similar but have different sites, do I need to DFT for each of them?
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1
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258
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December 2, 2023
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How to build an SQS structure
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1
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498
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December 2, 2023
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How to construct a claterate structure without using enums
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3
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280
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November 24, 2023
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How to only expand the primitive structure in 2 dimensions?
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2
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328
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November 1, 2023
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ModuleNotFoundError: No module named 'icet.fitting'
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4
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362
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August 29, 2023
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Converting/Understanding ECIs with vacancies
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1
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321
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June 28, 2023
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How to specify sites with "enumerate_strucutures"
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4
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391
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June 12, 2023
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How to add vibrational contribution in the CE?
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3
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372
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June 7, 2023
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