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Adding binary observer afterwards
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9
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101
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March 6, 2026
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Generating SQS with multiple substitution simultaneously at different Wyckoff Sites
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5
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60
|
November 27, 2025
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Question on whether to use per site or per energy
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3
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56
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November 25, 2025
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Visualization of clusters
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2
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39
|
November 8, 2025
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V3.2 released
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0
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34
|
October 27, 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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97
|
September 2, 2025
|
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Questions of MC analysis
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23
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250
|
August 13, 2025
|
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Structure Container Error
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1
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40
|
July 28, 2025
|
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Concentration values in the database
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5
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94
|
June 11, 2025
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Warning: Condition number is large
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4
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84
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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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44
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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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128
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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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55
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February 28, 2025
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Mixing Energy Calculation
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4
|
103
|
February 27, 2025
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Some problems regarding isothermal-isobaric ensembles
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1
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40
|
February 19, 2025
|
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Same element in multiple sublattices
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7
|
96
|
January 24, 2025
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Some problems confused me when I learn ICET
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10
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362
|
December 2, 2024
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Questions about convex hull constructions with ternary compounds
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1
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69
|
November 23, 2024
|
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Questions about using CE in multicomponent ionic materials
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|
3
|
73
|
November 14, 2024
|
|
Use extensive or intensive/normalized properties?
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3
|
297
|
September 13, 2024
|
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Dealing with large unit cell
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2
|
59
|
September 10, 2024
|
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Condition Number is large but cutoff is minimal
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4
|
93
|
August 30, 2024
|
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Can't get auto completion working
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0
|
76
|
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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186
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June 4, 2024
|
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Tips/Tricks for including Transition States in ICET?
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1
|
289
|
February 22, 2024
|
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Saving an EnsembleOptimizer and using it for uncertainty prediction with new structures
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3
|
248
|
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
|
266
|
December 2, 2023
|
|
How to build an SQS structure
|
|
1
|
552
|
December 2, 2023
|
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How to construct a claterate structure without using enums
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|
3
|
300
|
November 24, 2023
|
|
How to only expand the primitive structure in 2 dimensions?
|
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2
|
338
|
November 1, 2023
|