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Mapping Structures when vacancies and atoms switch spots
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1
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19
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August 31, 2026
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Minimum supercell size for training structures
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3
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38
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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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56
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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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57
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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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54
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May 21, 2026
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Adding binary observer afterwards
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9
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185
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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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114
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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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107
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November 25, 2025
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Visualization of clusters
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2
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72
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November 8, 2025
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V3.2 released
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0
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51
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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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151
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September 2, 2025
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Questions of MC analysis
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23
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397
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August 13, 2025
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Structure Container Error
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1
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56
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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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123
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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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121
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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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58
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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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167
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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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69
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February 28, 2025
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Mixing Energy Calculation
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4
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150
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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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54
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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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125
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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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422
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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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79
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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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102
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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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327
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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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83
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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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136
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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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94
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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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201
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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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319
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February 22, 2024
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