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How to construct a claterate structure without using enums
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3
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317
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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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345
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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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394
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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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338
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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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419
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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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399
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June 7, 2023
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SQS structure from supercell
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8
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640
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May 24, 2023
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What features are used to train the model? Do we need to add extra features?
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6
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546
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March 31, 2023
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How to judge whether the SQS supercell is valid (i.e. the simulation parameters are well-chosen)
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3
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540
|
March 16, 2023
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Why does enumerate_structures stop working?
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6
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470
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March 15, 2023
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ConvergenceWarning: Objective did not converge
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5
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4466
|
March 8, 2023
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Error! Occupations of structure not compatible with the sublattice. How to fix this?
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6
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512
|
February 8, 2023
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ICET Cluster Expansion: Large Error
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4
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504
|
January 17, 2023
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How to get the best SQS possible for a given number of atoms
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1
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634
|
December 9, 2022
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ModuleNotFoundError: No module named 'icet.core.cluster_counts'
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1
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435
|
November 14, 2022
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How to relate chemical potential difference to Gibbs free energy with icet?
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3
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544
|
November 12, 2022
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Find the lowest energy structure at a fixed concentration and a fixed supercell size
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6
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550
|
October 13, 2022
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Learning curve plots
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1
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404
|
August 5, 2022
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Composition-temperature phase diagrams using ICET?
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1
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652
|
July 18, 2022
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Is there something wrong in structure.py of icet?
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1
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468
|
July 5, 2022
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How to interpret ECI values?
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4
|
671
|
June 7, 2022
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Capturing high-energy clusters
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8
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675
|
June 7, 2022
|
|
ICET tutorials
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17
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2661
|
March 11, 2022
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Chemical potential and relative chemical potential in grand canonical monte carlo
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8
|
1298
|
February 15, 2022
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SQS Generator Error "RuntimeWarning: divide by zero encountered in long_scalars" with specific vacancy concentrations
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1
|
639
|
February 15, 2022
|
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How to build a cubic supercell using icet
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10
|
1696
|
January 5, 2022
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Canonical ensemble Monte Carlo simulation on phase separation of alloy systems
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1
|
928
|
January 4, 2022
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Cluster expansion for molecular crystals?
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6
|
638
|
December 13, 2021
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Application of cluster expansion
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2
|
1251
|
December 13, 2021
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Cluster expansion to find antiferromagnetic ground state
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2
|
556
|
December 12, 2021
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