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Minimum supercell size for training structures
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3
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20
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August 19, 2026
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Local cluster expansion for kinetically resolved activation barriers
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3
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45
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August 9, 2026
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Too Large condition number due to charge-neutrality constraints
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2
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53
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July 1, 2026
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Storing structures so only diff in energy need to be calced - feature request?
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2
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47
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May 21, 2026
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Adding binary observer afterwards
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9
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163
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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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107
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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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98
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November 25, 2025
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Visualization of clusters
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2
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67
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November 8, 2025
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V3.2 released
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0
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45
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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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147
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September 2, 2025
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Questions of MC analysis
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23
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388
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August 13, 2025
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Structure Container Error
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1
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55
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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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122
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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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110
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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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55
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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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159
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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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66
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February 28, 2025
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Mixing Energy Calculation
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4
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142
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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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48
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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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124
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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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418
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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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76
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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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97
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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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325
|
September 13, 2024
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Dealing with large unit cell
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2
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75
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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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130
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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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91
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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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195
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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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310
|
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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258
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December 14, 2023
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