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Experiment/various-relaxations#107

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VsevolodX wants to merge 23 commits intodevExabyte-io/api-examples:devfrom experiment/various-relaxationsExabyte-io/api-examples:experiment/various-relaxationsCopy head branch name to clipboard

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Commits on Feb 11, 2024

• feat: add relaxation

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  000b56c

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• update: add Ni and Gr

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  3d74f1b

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• update: calculate energies for separate parts

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  61cad20

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• update: add steps description

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• feat: add relaxation nb with ase only

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  5cd2842

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• feat: add usefull conversion functions

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  de4fa90

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• update: add energy calculation

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  4272cc3

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• chore: rm

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  3778032

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• chore: add micropip installation

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• update: remove non-pyodide friendly package from utils

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• update: pass interface to MD

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Commits on Feb 12, 2024

• chore: rename

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  98528d9

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• chore: rename nb with emt

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  1a43b6c

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• update: add nb with lj

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  4f7e078

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• update: add hbn

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  88bb6cc

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• chore: cleanup

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Commits on Feb 13, 2024

• chore: cleanup

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  e91dfd4

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Commits on Feb 22, 2024

• update: add relaxation with alignn

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Commits on Feb 23, 2024

• chore: trying pickling

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  94c8854

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• update: add structire view

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  e98cd35

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• update: add real time graph of convergence

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  44e26b6

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• chore: cleanups

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  018cf2e

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• chore: fix calculator in alignn

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